A0A087Y7J8_POEFO Loading...

Acyl-protein thioesterase 1

Acts as an acyl-protein thioesterase. Hydrolyzes fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Acts as a palmitoyl thioesterase that catalyzes depalmitoylation of proteins, such as ADRB2, KCNMA1 and SQSTM1. Acts as a negative regulator of autophagy by mediating palmitoylation of SQSTM1, decreasing affinity between SQSTM1 and ATG8 proteins and recruitment of ubiquitinated cargo proteins to autophagosomes. Acts as a lysophospholipase and hydrolyzes lysophosphatidylcholine (lyso-PC). Also hydrolyzes lysophosphatidylethanolamine (lyso-PE), lysophosphatidylinositol (lyso-PI) and lysophosphatidylserine (lyso-PS). Has much higher thioesterase activity than lysophospholipase activity. Contributes to the production of lysophosphatidic acid (LPA) during blood coagulation by recognizing and cleaving plasma phospholipids to generate lysophospholipids which in turn act as substrates for ENPP2 to produce LPA.

AlphaFold DB , UniProt , Accession A0A087Y7J8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 232 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	55.9	Low	244 Å²	244	125.7 Å²	125.7	100%	1.202	75%	0.751	S	S	*	*				0	105.1	0	-73.7	-168.1	-97.1	0	0	107.3	G3	M1-G3 PolarHBondContact O-N 2.86Å; M1-G3 VanDerWaalsContact O-N 3.11Å
2	C	35.8	Very low	59.3	Low	134 Å²	134	116.3 Å²	116.3	91%	0.905	70%	0.697	S	S	*	*			trans	-69.2	104.4	178.7	-64.6	0	0	0	0	108.2	N4	C2-N4 PolarHBondContact O-N 2.7Å
3	G	35.3	Very low	62.3	Low	69 Å²	69	113.8 Å²	113.8	71%	0.711	68%	0.677	S	S	*	*			trans	-63.1	117.7	170.2	0	0	0	0	0	108.4	M1 N5	M1-G3 PolarHBondContact O-N 2.86Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-N5 PolarHBondContact O-N 3.23Å
4	N	36.6	Very low	64.9	Low	149 Å²	149	106 Å²	106	80%	0.797	63%	0.63	S	S	*	*			trans	-59.9	91.8	166.4	-94.8	-3.8	0	0	0	108.1	C2 M6	C2-N4 PolarHBondContact O-N 2.7Å; N4-M6 HydrophobicContact CB-CG 4.5Å; N4-M6 PolarHBondContact O-N 2.85Å
5	N	40.3	Very low	67.1	Low	164 Å²	164	104 Å²	104	88%	0.877	62%	0.621	S	S	*	*			trans	-67.9	79.5	153.3	-93.1	-4.4	0	0	0	106.3	G3 S7	G3-N5 PolarHBondContact O-N 3.23Å; N5-S7 PolarHBondContact O-N 2.94Å
6	M	44.7	Very low	68.9	Low	166 Å²	166	98.7 Å²	98.7	82%	0.818	59%	0.592	S	S	*	*			trans	-62.6	98.8	158.9	-76.2	-119.5	-72.5	0	0	105.4	N4 A8	N4-M6 HydrophobicContact CB-CG 4.5Å; N4-M6 PolarHBondContact O-N 2.85Å; M6-A8 PolarHBondContact O-N 2.84Å
7	S	57.5	Low	70.4	Confident	107 Å²	107	96.9 Å²	96.9	75%	0.748	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-54.3	125.5	170.6	62.4	0	0	0	0	106.8	N5	N5-S7 PolarHBondContact O-N 2.94Å
8	A	64.2	Low	71.7	Confident	69 Å²	69	101.7 Å²	101.7	57%	0.57	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-49.5	137	172.6	0	0	0	0	0	108.8	M6 L10	M6-A8 PolarHBondContact O-N 2.84Å; A8-L10 PolarHBondContact O-N 3.11Å
9	P	80.2	Confident	72.9	Confident	83 Å²	83	106.1 Å²	106.1	54%	0.539	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-55.9	138.8	-178.6	17.1	-25.6	0	0	0	109.9	H55	P9-H55 HydrophobicContact CG-CB 3.85Å
10	L	90.7	Very high	74.2	Confident	153 Å²	153	102.5 Å²	102.5	80%	0.801	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-57.3	141.8	-179.2	-68.8	173.9	0	0	0	110.1	A8 H55	A8-L10 PolarHBondContact O-N 3.11Å; L10-H55 PolarHBondContact O-CD2 3.43Å; L10-H55 PolarHBondContact O-NE2 3.13Å
11	P	94.9	Very high	75.3	Confident	45 Å²	45	99.4 Å²	99.4	29%	0.292	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-54.8	146.3	178.3	-25.7	34.5	0	0	0	113	I13 I52 P54	P11-I13 HydrophobicContact CB-CG1 4.2Å; P11-I13 PolarHBondContact O-N 3.38Å; P11-I52 HydrophobicContact CB-CG2 3.82Å; P11-I52 HydrophobicContact CG-CG2 4.19Å; P11-P54 HydrophobicContact CB-CB 4.39Å; P11-P54 HydrophobicContact CG-CB 4.26Å
12	A	97.6	Very high	78.4	Confident	12 Å²	12	87.8 Å²	87.8	10%	0.099	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.5	162	0	0	0	0	0	108.5	A38 C53	A12-A38 HydrophobicContact CB-CB 3.84Å; A12-C53 HydrophobicContact CB-CB 4.29Å; A12-C53 PolarHBondContact N-O 3.29Å; A12-C53 PolarHBondContact O-N 3.06Å
13	I	98.1	Very high	81.4	Confident	85 Å²	85	81.4 Å²	81.4	44%	0.436	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.4	-173.6	-65.9	170.1	0	0	0	109.8	P11 P15 K50 Y51	P11-I13 HydrophobicContact CB-CG1 4.2Å; P11-I13 PolarHBondContact O-N 3.38Å; I13-P15 WeakPolarHBondContact O-CD 3.33Å; I13-K50 HydrophobicContact CG2-CG 4.25Å; I13-Y51 WeakPolarHBondContact CA-O 3.35Å
14	V	98.3	Very high	84.4	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.024	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.7	160.8	174	0	0	0	0	107.1	A38 F41 E42 R45 Y51	V14-A38 HydrophobicContact CG2-CB 4.13Å; V14-A38 WeakPolarHBondContact CG2-O 3.45Å; V14-F41 HydrophobicContact CG2-CB 4.5Å; V14-E42 WeakPolarHBondContact CG1-OE2 3.49Å; V14-E42 HydrophobicContact CG2-CB 4.39Å; V14-R45 HydrophobicContact CG1-CG 4.07Å; V14-Y51 HydrophobicContact CB-CD2 4.04Å; V14-Y51 HydrophobicContact CB-CG 4.42Å; V14-Y51 HydrophobicContact CG1-CD2 3.97Å; V14-Y51 PolarHBondContact N-O 3.31Å; V14-Y51 PolarHBondContact O-N 2.91Å
15	P	97.3	Very high	87.4	Confident	76 Å²	76	71.2 Å²	71.2	49%	0.494	40%	0.403	S	S	.	.			trans	-65	155.1	-179.5	27.6	-33.6	0	0	0	110.3	I13 R45	I13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-R45 PolarHBondContact O-NE 3Å; P15-R45 PolarHBondContact O-NH2 3.21Å
16	A	96.8	Very high	90.2	Very high	19 Å²	19	63.5 Å²	63.5	16%	0.157	36%	0.361	C	S	.	.			trans	-65.6	148.2	166	0	0	0	0	0	109.8	R18 A20 R45 P47 V49	A16-R18 VanDerWaalsContact C-N 3.28Å; A16-R18 CarbonylContact C-O 3.45Å; A16-R18 WeakPolarHBondContact CB-O 3.47Å; A16-A20 HydrophobicContact CB-CB 3.73Å; A16-R45 PolarHBondContact O-NH2 3.37Å; A16-P47 CarbonylContact C-O 3.56Å; A16-V49 WeakPolarHBondContact CA-O 3.46Å
17	A	94.6	Very high	92.8	Very high	68 Å²	68	55.6 Å²	55.6	56%	0.562	32%	0.322	S	S	*	.	S	Bend	trans	-77.6	-20.9	177.1	0	0	0	0	0	111.8	P47	A17-P47 HydrophobicContact CB-CB 4.34Å; A17-P47 PolarHBondContact N-O 2.91Å
18	R	93.6	Very high	94.7	Very high	183 Å²	183	50.5 Å²	50.5	69%	0.691	29%	0.287	S	S	*	.	S	Bend	trans	-119.7	-175.9	171	-58.2	-178.3	-177.5	-176	0.3	109	A16 A20 P47	A16-R18 VanDerWaalsContact C-N 3.28Å; A16-R18 CarbonylContact C-O 3.45Å; A16-R18 WeakPolarHBondContact CB-O 3.47Å; R18-A20 PolarHBondContact O-N 3.34Å; R18-A20 VanDerWaalsContact O-N 3.11Å; R18-P47 HydrophobicContact CG-CB 4.38Å; R18-P47 PolarHBondContact N-O 2.9Å
19	K	94.9	Very high	96.4	Very high	186 Å²	186	47.4 Å²	47.4	81%	0.809	26%	0.261	S	S	*	.	S	Bend	trans	-52.6	121.9	169.5	-175.6	177.9	178.3	-176.6	0	109.2	T21	K19-T21 PolarHBondContact O-N 3.35Å
20	A	97.9	Very high	97.2	Very high	34 Å²	34	45.8 Å²	45.8	28%	0.281	25%	0.248	S	C	.	.			trans	-65.1	123.8	179.1	0	0	0	0	0	109.5	A16 R18 K50 I108	A16-A20 HydrophobicContact CB-CB 3.73Å; R18-A20 PolarHBondContact O-N 3.34Å; R18-A20 VanDerWaalsContact O-N 3.11Å; A20-K50 HydrophobicContact CB-CB 4.06Å; A20-I108 HydrophobicContact CB-CD1 4.02Å
21	T	98.4	Very high	97.4	Very high	37 Å²	37	40.4 Å²	40.4	23%	0.227	23%	0.229	C	C	.	.			trans	-114.1	-0.7	173.2	64.8	0	0	0	0	111.9	K19 H48 R112 L229	K19-T21 PolarHBondContact O-N 3.35Å; T21-H48 PolarHBondContact N-O 2.91Å; T21-H48 PolarHBondContact OG1-CD2 2.82Å; T21-R112 WeakPolarHBondContact O-CB 3.12Å; T21-R112 PolarHBondContact O-NE 3.23Å; T21-R112 PolarHBondContact OG1-NH2 3.37Å; T21-L229 HydrophobicContact CG2-CD1 4.16Å
22	A	98.8	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.9	178.5	0	0	0	0	0	110.8	H48 V49 K50 R112 L226	A22-H48 PolarHBondContact N-O 3.22Å; A22-V49 HydrophobicContact CB-CG2 4.21Å; A22-V49 WeakPolarHBondContact O-CA 3.41Å; A22-K50 PolarHBondContact O-N 3.09Å; A22-R112 VanDerWaalsContact CA-O 3.25Å; A22-R112 WeakPolarHBondContact CA-O 3.27Å; A22-R112 HydrophobicContact CB-CB 4.23Å; A22-R112 WeakPolarHBondContact CB-O 3.41Å; A22-L226 HydrophobicContact CB-CB 4.02Å; A22-L226 HydrophobicContact CB-CD1 3.86Å; A22-L226 HydrophobicContact CB-CD2 3.93Å; A22-L226 HydrophobicContact CB-CG 4.15Å
23	A	98.9	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.3	177.5	0	0	0	0	0	112.5	K50 I52 I108 R112 I113 L114	A23-K50 CarbonylContact C-O 3.54Å; A23-K50 VanDerWaalsContact CA-O 3.23Å; A23-K50 WeakPolarHBondContact CA-O 3.23Å; A23-I52 HydrophobicContact CB-CD1 4.4Å; A23-I108 HydrophobicContact CB-CD1 4Å; A23-I108 HydrophobicContact CB-CG2 4.34Å; A23-R112 PolarHBondContact N-O 2.81Å; A23-I113 HydrophobicContact CB-CG1 4.38Å; A23-I113 WeakPolarHBondContact O-CA 3.5Å; A23-L114 PolarHBondContact O-N 3.42Å
24	V	98.9	Very high	97.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	165.3	176.2	0	0	0	0	107.2	F26 F41 V49 K50 Y51 I52 L114 I222 L226	V24-F26 HydrophobicContact CG1-CB 4.36Å; V24-F41 HydrophobicContact CG1-CZ 4.46Å; V24-V49 HydrophobicContact CG2-CG1 3.77Å; V24-K50 PolarHBondContact N-O 3.11Å; V24-Y51 HydrophobicContact CB-CD1 3.7Å; V24-Y51 HydrophobicContact CB-CE1 4.2Å; V24-Y51 HydrophobicContact CB-CG 4.41Å; V24-Y51 HydrophobicContact CG1-CD1 4.11Å; V24-Y51 HydrophobicContact CG2-CD1 3.96Å; V24-Y51 HydrophobicContact CG2-CE1 3.93Å; V24-Y51 CarbonylContact O-C 3.59Å; V24-Y51 WeakPolarHBondContact O-CA 3.38Å; V24-I52 PolarHBondContact O-N 3.48Å; V24-L114 WeakPolarHBondContact CA-O 3.38Å; V24-L114 HydrophobicContact CG2-CB 4.18Å; V24-L114 HydrophobicContact CG2-CD1 4.4Å; V24-I222 HydrophobicContact CG2-CD1 4.13Å; V24-I222 HydrophobicContact CG2-CG1 4.43Å; V24-I222 HydrophobicContact CG2-CG2 4.05Å; V24-L226 HydrophobicContact CG2-CD1 4.31Å
25	I	98.9	Very high	97.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.2	170.1	-57.7	171	0	0	0	107.1	L27 I52 P54 M99 I100 I113 L114 L115 G116	I25-L27 HydrophobicContact CG2-CD2 4.22Å; I25-I52 CarbonylContact C-O 3.58Å; I25-I52 WeakPolarHBondContact CA-O 3.21Å; I25-I52 HydrophobicContact CG1-CB 4.33Å; I25-I52 HydrophobicContact CG1-CD1 4.1Å; I25-P54 HydrophobicContact CG2-CG 4.44Å; I25-M99 HydrophobicContact CD1-CB 4.22Å; I25-I100 HydrophobicContact CD1-CG1 3.96Å; I25-I113 HydrophobicContact CD1-CG2 4.06Å; I25-I113 HydrophobicContact CG1-CG2 4.32Å; I25-L114 PolarHBondContact N-O 3.25Å; I25-L115 HydrophobicContact CB-CD2 3.82Å; I25-L115 HydrophobicContact CD1-CD2 4.24Å; I25-L115 HydrophobicContact CG2-CD2 4.32Å; I25-L115 CarbonylContact O-C 3.43Å; I25-L115 WeakPolarHBondContact O-CA 3.47Å; I25-G116 PolarHBondContact O-N 2.96Å
26	F	98.9	Very high	97.2	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.9	-172.8	-165.4	-82.9	0	0	0	112.6	V24 W37 F41 I52 C53 P54 G116 G117 F118 L142	V24-F26 HydrophobicContact CG1-CB 4.36Å; F26-W37 HydrophobicContact CD1-CB 3.98Å; F26-W37 AromaticContact CD1-CD2 3.85Å; F26-W37 HydrophobicContact CD1-CD2 3.85Å; F26-W37 HydrophobicContact CD1-CE3 4.05Å; F26-W37 AromaticContact CD1-CG 3.79Å; F26-W37 HydrophobicContact CD1-CG 3.79Å; F26-W37 HydrophobicContact CE1-CB 4.26Å; F26-W37 AromaticContact CE1-CD2 3.2Å; F26-W37 HydrophobicContact CE1-CD2 3.2Å; F26-W37 AromaticContact CE1-CE2 3.63Å; F26-W37 AromaticContact CE1-CE3 3.35Å; F26-W37 HydrophobicContact CE1-CE3 3.35Å; F26-W37 AromaticContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CH2 4.21Å; F26-W37 HydrophobicContact CE1-CZ2 4.13Å; F26-W37 AromaticContact CE1-CZ3 3.86Å; F26-W37 HydrophobicContact CE1-CZ3 3.86Å; F26-W37 HydrophobicContact CE2-CE3 4.46Å; F26-W37 AromaticContact CZ-CD2 3.89Å; F26-W37 HydrophobicContact CZ-CD2 3.89Å; F26-W37 AromaticContact CZ-CE3 3.57Å; F26-W37 HydrophobicContact CZ-CE3 3.57Å; F26-W37 AromaticContact CZ-CH2 4Å; F26-W37 HydrophobicContact CZ-CH2 4Å; F26-W37 HydrophobicContact CZ-CZ2 4.32Å; F26-W37 AromaticContact CZ-CZ3 3.62Å; F26-W37 HydrophobicContact CZ-CZ3 3.62Å; F26-F41 HydrophobicContact CB-CD2 4.48Å; F26-F41 HydrophobicContact CB-CE2 3.54Å; F26-F41 HydrophobicContact CB-CZ 4.09Å; F26-F41 AromaticContact CD1-CE2 3.92Å; F26-F41 HydrophobicContact CD1-CE2 3.92Å; F26-F41 AromaticContact CD2-CE2 3.57Å; F26-F41 HydrophobicContact CD2-CE2 3.57Å; F26-F41 AromaticContact CD2-CZ 3.37Å; F26-F41 HydrophobicContact CD2-CZ 3.37Å; F26-F41 HydrophobicContact CE2-CE2 4.2Å; F26-F41 AromaticContact CE2-CZ 3.83Å; F26-F41 HydrophobicContact CE2-CZ 3.83Å; F26-F41 AromaticContact CG-CE2 3.39Å; F26-F41 HydrophobicContact CG-CE2 3.39Å; F26-F41 AromaticContact CG-CZ 3.74Å; F26-F41 HydrophobicContact CG-CZ 3.74Å; F26-I52 PolarHBondContact N-O 2.91Å; F26-C53 WeakPolarHBondContact O-CA 3.37Å; F26-P54 WeakPolarHBondContact O-CD 3.42Å; F26-G116 CarbonylContact C-O 3.49Å; F26-G116 WeakPolarHBondContact CA-O 3.31Å; F26-G117 VanDerWaalsContact CZ-C 3.41Å; F26-G117 VanDerWaalsContact CZ-CA 3.45Å; F26-F118 HydrophobicContact CE1-CB 4.2Å; F26-F118 HydrophobicContact CZ-CB 4.23Å; F26-L142 HydrophobicContact CE2-CD1 4.02Å; F26-L142 HydrophobicContact CE2-CG 4.41Å; F26-L142 HydrophobicContact CZ-CD1 3.7Å; F26-L142 HydrophobicContact CZ-CG 4.28Å
27	L	98.9	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.9	-173.9	-50.4	-178.5	0	0	0	110.6	I25 P54 W72 V96 G116 G117 F118 G121 L124 S125	I25-L27 HydrophobicContact CG2-CD2 4.22Å; L27-P54 HydrophobicContact CD2-CG 3.46Å; L27-P54 VanDerWaalsContact CD2-CG 3.46Å; L27-W72 HydrophobicContact CB-CZ2 3.97Å; L27-W72 HydrophobicContact CD2-CH2 3.93Å; L27-W72 HydrophobicContact CD2-CZ2 3.93Å; L27-W72 HydrophobicContact CD2-CZ3 4.46Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; L27-V96 HydrophobicContact CD1-CG1 4.48Å; L27-V96 HydrophobicContact CD1-CG2 3.75Å; L27-V96 HydrophobicContact CD2-CG2 4.22Å; L27-G116 PolarHBondContact N-O 3.49Å; L27-G117 CarbonylContact O-C 3.57Å; L27-G117 WeakPolarHBondContact O-CA 3.11Å; L27-F118 PolarHBondContact O-N 3.49Å; L27-G121 WeakPolarHBondContact O-CA 3.2Å; L27-L124 HydrophobicContact CD1-CB 3.92Å; L27-L124 HydrophobicContact CD1-CD2 3.8Å; L27-L124 HydrophobicContact CD1-CG 3.8Å; L27-S125 WeakPolarHBondContact CD1-OG 3.36Å
28	H	98.7	Very high	97.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.211	C	C	.	.			trans	-71.7	167.6	179.8	68	79.4	0	0	0	112.7	D32 T33 P54 A56 W72 G121	H28-D32 HydrophobicContact CB-CB 4.18Å; H28-D32 PolarHBondContact CE1-O 3.39Å; H28-D32 PolarHBondContact ND1-O 3.41Å; H28-T33 VanDerWaalsContact CD2-C 3.49Å; H28-P54 PolarHBondContact CD2-O 3.25Å; H28-P54 VanDerWaalsContact CD2-O 3.26Å; H28-A56 PolarHBondContact NE2-N 2.8Å; H28-W72 AromaticContact CD2-CZ2 3.85Å; H28-W72 AromaticContact NE2-CZ2 3.87Å; H28-W72 PolarHBondContact O-NE1 2.96Å; H28-G121 WeakPolarHBondContact O-CA 3.36Å; H28-G121 PolarHBondContact O-N 2.92Å
29	G	98.2	Very high	97.7	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	21%	0.212	C	C	.	.			trans	-79.7	174.9	175.7	0	0	0	0	0	113.7	G31 D32 F118	G29-G31 PolarHBondContact O-N 3.04Å; G29-D32 PolarHBondContact O-N 3.44Å; G29-F118 WeakPolarHBondContact CA-O 3.45Å; G29-F118 PolarHBondContact N-O 3.09Å
30	L	97.6	Very high	97.9	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.257	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.9	178.9	176	69.6	0	0	0	111.8	D32 V61 M69 S71 I75	L30-D32 PolarHBondContact O-N 3.41Å; L30-V61 HydrophobicContact CD1-CG1 4.19Å; L30-V61 HydrophobicContact CD1-CG2 3.84Å; L30-V61 HydrophobicContact CD2-CG1 4.32Å; L30-M69 HydrophobicContact CD1-CG 4.12Å; L30-M69 HydrophobicContact CD1-SD 3.98Å; L30-M69 HydrophobicContact CD2-SD 4.31Å; L30-M69 HydrophobicContact CG-SD 4.06Å; L30-S71 WeakPolarHBondContact CD1-OG 3.37Å; L30-I75 HydrophobicContact CB-CD1 4.38Å; L30-I75 HydrophobicContact CD1-CD1 4.46Å; L30-I75 HydrophobicContact CD2-CD1 4.1Å
31	G	95.3	Very high	97.9	Very high	39 Å²	39	29 Å²	29	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-9.6	174.2	0	0	0	0	0	115.6	G29 P70	G29-G31 PolarHBondContact O-N 3.04Å; G31-P70 PolarHBondContact N-O 3.03Å
32	D	95.7	Very high	97.8	Very high	62 Å²	62	31.5 Å²	31.5	33%	0.332	18%	0.183	S	C	.	.			trans	-89.1	-175.1	-178.6	-162.3	4.2	0	0	0	112.2	H28 G29 L30 P70	H28-D32 HydrophobicContact CB-CB 4.18Å; H28-D32 PolarHBondContact CE1-O 3.39Å; H28-D32 PolarHBondContact ND1-O 3.41Å; G29-D32 PolarHBondContact O-N 3.44Å; L30-D32 PolarHBondContact O-N 3.41Å; D32-P70 VanDerWaalsContact O-CB 3.24Å; D32-P70 WeakPolarHBondContact O-CB 3.47Å; D32-P70 WeakPolarHBondContact O-CG 3.49Å
33	T	96.5	Very high	97.8	Very high	53 Å²	53	34.8 Å²	34.8	33%	0.325	22%	0.217	S	C	.	.			trans	-130.6	168.1	169.8	76.9	0	0	0	0	110.4	H28 H35	H28-T33 VanDerWaalsContact CD2-C 3.49Å; T33-H35 PolarHBondContact O-N 3.43Å; T33-H35 PolarHBondContact OG1-N 2.81Å; T33-H35 PolarHBondContact OG1-ND1 2.98Å
34	G	96.9	Very high	97.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-13.2	174.2	0	0	0	0	0	115.8	A38 C53 H55	G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 3Å; G34-C53 WeakPolarHBondContact O-CB 3.35Å; G34-H55 PolarHBondContact N-CE1 2.8Å; G34-H55 PolarHBondContact N-ND1 3.28Å; G34-H55 VanDerWaalsContact N-ND1 3.13Å
35	H	97.6	Very high	97.6	Very high	107 Å²	107	38.8 Å²	38.8	50%	0.495	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-48.7	-172.5	-68.4	95.9	0	0	0	113.1	T33 W37 A38 E39 H55	T33-H35 PolarHBondContact O-N 3.43Å; T33-H35 PolarHBondContact OG1-N 2.81Å; T33-H35 PolarHBondContact OG1-ND1 2.98Å; H35-W37 VanDerWaalsContact C-N 3.27Å; H35-W37 PolarHBondContact O-N 2.94Å; H35-A38 WeakPolarHBondContact O-CB 3.26Å; H35-A38 PolarHBondContact O-N 2.96Å; H35-A38 VanDerWaalsContact O-N 3.11Å; H35-E39 PolarHBondContact O-N 3.48Å; H35-H55 AromaticContact CE1-CE1 3.41Å; H35-H55 PolarHBondContact CE1-CE1 3.2Å; H35-H55 VanDerWaalsContact CE1-CE1 3.41Å; H35-H55 AromaticContact CE1-NE2 3.67Å; H35-H55 AromaticContact ND1-CE1 3.41Å; H35-H55 PolarHBondContact ND1-CE1 3.34Å
36	G	96.2	Very high	97.6	Very high	38 Å²	38	39 Å²	39	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-37.9	-178.6	0	0	0	0	0	112.5	E39 A40	G36-E39 PolarHBondContact O-N 2.97Å; G36-A40 PolarHBondContact O-N 3.06Å
37	W	98.3	Very high	97.5	Very high	16 Å²	16	41.8 Å²	41.8	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-71.3	-37.7	174.9	-73.1	99.5	0	0	0	112.9	F26 H35 E39 A40 F41 F118 L142 A210 M215	F26-W37 HydrophobicContact CD1-CB 3.98Å; F26-W37 AromaticContact CD1-CD2 3.85Å; F26-W37 HydrophobicContact CD1-CD2 3.85Å; F26-W37 HydrophobicContact CD1-CE3 4.05Å; F26-W37 AromaticContact CD1-CG 3.79Å; F26-W37 HydrophobicContact CD1-CG 3.79Å; F26-W37 HydrophobicContact CE1-CB 4.26Å; F26-W37 AromaticContact CE1-CD2 3.2Å; F26-W37 HydrophobicContact CE1-CD2 3.2Å; F26-W37 AromaticContact CE1-CE2 3.63Å; F26-W37 AromaticContact CE1-CE3 3.35Å; F26-W37 HydrophobicContact CE1-CE3 3.35Å; F26-W37 AromaticContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CG 3.6Å; F26-W37 HydrophobicContact CE1-CH2 4.21Å; F26-W37 HydrophobicContact CE1-CZ2 4.13Å; F26-W37 AromaticContact CE1-CZ3 3.86Å; F26-W37 HydrophobicContact CE1-CZ3 3.86Å; F26-W37 HydrophobicContact CE2-CE3 4.46Å; F26-W37 AromaticContact CZ-CD2 3.89Å; F26-W37 HydrophobicContact CZ-CD2 3.89Å; F26-W37 AromaticContact CZ-CE3 3.57Å; F26-W37 HydrophobicContact CZ-CE3 3.57Å; F26-W37 AromaticContact CZ-CH2 4Å; F26-W37 HydrophobicContact CZ-CH2 4Å; F26-W37 HydrophobicContact CZ-CZ2 4.32Å; F26-W37 AromaticContact CZ-CZ3 3.62Å; F26-W37 HydrophobicContact CZ-CZ3 3.62Å; H35-W37 VanDerWaalsContact C-N 3.27Å; H35-W37 PolarHBondContact O-N 2.94Å; W37-E39 VanDerWaalsContact C-N 3.34Å; W37-E39 PolarHBondContact O-N 3.38Å; W37-A40 PolarHBondContact O-N 3.4Å; W37-F41 HydrophobicContact CE3-CE2 4.43Å; W37-F41 WeakPolarHBondContact O-CD2 3.44Å; W37-F41 PolarHBondContact O-N 2.94Å; W37-F118 HydrophobicContact CH2-CB 3.91Å; W37-F118 AromaticContact CH2-CD2 3.96Å; W37-F118 HydrophobicContact CH2-CD2 3.96Å; W37-F118 HydrophobicContact CH2-CG 4.12Å; W37-F118 HydrophobicContact CZ2-CB 3.28Å; W37-F118 HydrophobicContact CZ2-CD1 4.13Å; W37-F118 AromaticContact CZ2-CD2 3.69Å; W37-F118 HydrophobicContact CZ2-CD2 3.69Å; W37-F118 AromaticContact CZ2-CG 3.43Å; W37-F118 HydrophobicContact CZ2-CG 3.43Å; W37-F118 VanDerWaalsContact CZ2-CG 3.43Å; W37-L142 HydrophobicContact CH2-CD1 3.66Å; W37-L142 HydrophobicContact CZ3-CD1 3.76Å; W37-A210 HydrophobicContact CH2-CB 3.87Å; W37-A210 HydrophobicContact CZ3-CB 4.4Å; W37-M215 HydrophobicContact CZ3-SD 4.35Å
38	A	98.4	Very high	97.5	Very high	11 Å²	11	43 Å²	43	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-43.4	173.4	0	0	0	0	0	111.5	A12 V14 G34 H35 F41 E42 C53	A12-A38 HydrophobicContact CB-CB 3.84Å; V14-A38 HydrophobicContact CG2-CB 4.13Å; V14-A38 WeakPolarHBondContact CG2-O 3.45Å; G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 3Å; H35-A38 WeakPolarHBondContact O-CB 3.26Å; H35-A38 PolarHBondContact O-N 2.96Å; H35-A38 VanDerWaalsContact O-N 3.11Å; A38-F41 PolarHBondContact O-N 3.35Å; A38-E42 PolarHBondContact O-N 2.77Å; A38-C53 HydrophobicContact CB-CB 4.36Å
39	E	97.9	Very high	97.5	Very high	149 Å²	149	43 Å²	43	70%	0.696	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-43.9	174.4	-70.8	179.3	-175.6	0	0	112.1	H35 G36 W37 F41 E42 G43	H35-E39 PolarHBondContact O-N 3.48Å; G36-E39 PolarHBondContact O-N 2.97Å; W37-E39 VanDerWaalsContact C-N 3.34Å; W37-E39 PolarHBondContact O-N 3.38Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.4Å; E39-E42 WeakPolarHBondContact O-CB 3.12Å; E39-E42 PolarHBondContact O-N 3.23Å; E39-G43 PolarHBondContact O-N 3.21Å
40	A	97.9	Very high	97.5	Very high	35 Å²	35	44.7 Å²	44.7	29%	0.289	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-40.3	175.6	0	0	0	0	0	112.1	G36 W37 G43 M215	G36-A40 PolarHBondContact O-N 3.06Å; W37-A40 PolarHBondContact O-N 3.4Å; A40-G43 PolarHBondContact O-N 3.15Å; A40-M215 HydrophobicContact CB-CE 3.95Å
41	F	98.4	Very high	97.6	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-70.8	-31.7	176.2	-79	-59.9	0	0	0	113.7	V14 V24 F26 W37 A38 E39 G43 I44 R45 Y51 I218 I222	V14-F41 HydrophobicContact CG2-CB 4.5Å; V24-F41 HydrophobicContact CG1-CZ 4.46Å; F26-F41 HydrophobicContact CB-CD2 4.48Å; F26-F41 HydrophobicContact CB-CE2 3.54Å; F26-F41 HydrophobicContact CB-CZ 4.09Å; F26-F41 AromaticContact CD1-CE2 3.92Å; F26-F41 HydrophobicContact CD1-CE2 3.92Å; F26-F41 AromaticContact CD2-CE2 3.57Å; F26-F41 HydrophobicContact CD2-CE2 3.57Å; F26-F41 AromaticContact CD2-CZ 3.37Å; F26-F41 HydrophobicContact CD2-CZ 3.37Å; F26-F41 HydrophobicContact CE2-CE2 4.2Å; F26-F41 AromaticContact CE2-CZ 3.83Å; F26-F41 HydrophobicContact CE2-CZ 3.83Å; F26-F41 AromaticContact CG-CE2 3.39Å; F26-F41 HydrophobicContact CG-CE2 3.39Å; F26-F41 AromaticContact CG-CZ 3.74Å; F26-F41 HydrophobicContact CG-CZ 3.74Å; W37-F41 HydrophobicContact CE3-CE2 4.43Å; W37-F41 WeakPolarHBondContact O-CD2 3.44Å; W37-F41 PolarHBondContact O-N 2.94Å; A38-F41 PolarHBondContact O-N 3.35Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.4Å; F41-G43 PolarHBondContact O-N 3.13Å; F41-I44 HydrophobicContact CD1-CD1 3.87Å; F41-I44 HydrophobicContact CD1-CG1 4.06Å; F41-I44 HydrophobicContact CE1-CD1 4.11Å; F41-I44 CarbonylContact O-C 3.54Å; F41-I44 PolarHBondContact O-N 2.96Å; F41-I44 VanDerWaalsContact O-N 3.09Å; F41-R45 WeakPolarHBondContact O-CA 3.2Å; F41-R45 PolarHBondContact O-N 3.33Å; F41-Y51 HydrophobicContact CB-CD1 3.73Å; F41-Y51 HydrophobicContact CB-CD2 4.48Å; F41-Y51 HydrophobicContact CB-CE1 4.21Å; F41-Y51 HydrophobicContact CB-CG 3.89Å; F41-Y51 AromaticContact CD1-CD1 3.33Å; F41-Y51 HydrophobicContact CD1-CD1 3.33Å; F41-Y51 AromaticContact CD1-CE1 3.39Å; F41-Y51 HydrophobicContact CD1-CE1 3.39Å; F41-Y51 HydrophobicContact CD1-CG 4.33Å; F41-Y51 HydrophobicContact CD2-CD1 4.11Å; F41-Y51 AromaticContact CE1-CD1 3.96Å; F41-Y51 HydrophobicContact CE1-CD1 3.96Å; F41-Y51 HydrophobicContact CE1-CE1 4Å; F41-Y51 AromaticContact CG-CD1 3.44Å; F41-Y51 HydrophobicContact CG-CD1 3.44Å; F41-Y51 VanDerWaalsContact CG-CD1 3.44Å; F41-Y51 AromaticContact CG-CE1 3.95Å; F41-Y51 HydrophobicContact CG-CE1 3.95Å; F41-Y51 HydrophobicContact CG-CG 4.05Å; F41-I218 HydrophobicContact CE1-CG2 4.13Å; F41-I222 HydrophobicContact CE1-CD1 4.16Å
42	E	97.7	Very high	97.7	Very high	91 Å²	91	40.9 Å²	40.9	43%	0.425	23%	0.234	S	C	.	.	H	α-helix	trans	-57.5	-39.9	172.6	-169	67.9	-135.5	0	0	110.4	V14 A38 E39 I44 R45	V14-E42 WeakPolarHBondContact CG1-OE2 3.49Å; V14-E42 HydrophobicContact CG2-CB 4.39Å; A38-E42 PolarHBondContact O-N 2.77Å; E39-E42 WeakPolarHBondContact O-CB 3.12Å; E39-E42 PolarHBondContact O-N 3.23Å; E42-I44 PolarHBondContact O-N 2.91Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 PolarHBondContact O-N 2.92Å; E42-R45 WeakPolarHBondContact OE1-CD 3.08Å; E42-R45 IonicContact OE1-CZ 2.73Å; E42-R45 IonicContact OE1-NH1 3.17Å; E42-R45 PolarHBondContact OE1-NH1 3.18Å; E42-R45 IonicContact OE2-NH1 3.81Å
43	G	97.3	Very high	97.9	Very high	68 Å²	68	38 Å²	38	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.6	177.2	0	0	0	0	0	115.3	E39 A40 F41	E39-G43 PolarHBondContact O-N 3.21Å; A40-G43 PolarHBondContact O-N 3.15Å; F41-G43 PolarHBondContact O-N 3.13Å
44	I	97.6	Very high	98	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.087	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	16.9	179.1	63.3	155.6	0	0	0	113.6	F41 E42 M215 I218 K219	F41-I44 HydrophobicContact CD1-CD1 3.87Å; F41-I44 HydrophobicContact CD1-CG1 4.06Å; F41-I44 HydrophobicContact CE1-CD1 4.11Å; F41-I44 CarbonylContact O-C 3.54Å; F41-I44 PolarHBondContact O-N 2.96Å; F41-I44 VanDerWaalsContact O-N 3.09Å; E42-I44 PolarHBondContact O-N 2.91Å; I44-M215 HydrophobicContact CD1-CE 3.63Å; I44-M215 HydrophobicContact CG1-CE 3.99Å; I44-M215 HydrophobicContact CG2-CB 4.26Å; I44-I218 HydrophobicContact CD1-CB 4.48Å; I44-I218 HydrophobicContact CD1-CG2 4.06Å; I44-K219 HydrophobicContact CB-CB 4.04Å; I44-K219 HydrophobicContact CB-CD 4.04Å; I44-K219 HydrophobicContact CB-CG 4.19Å; I44-K219 HydrophobicContact CD1-CB 4.02Å; I44-K219 HydrophobicContact CG2-CB 4.39Å; I44-K219 HydrophobicContact CG2-CD 4.41Å
45	R	96.8	Very high	98	Very high	71 Å²	71	36.8 Å²	36.8	27%	0.268	21%	0.21	S	C	.	.			trans	-55.2	136.3	-171.1	-179.5	179.6	177.1	-169.2	-2.3	112.9	V14 P15 A16 F41 E42 Y51	V14-R45 HydrophobicContact CG1-CG 4.07Å; P15-R45 PolarHBondContact O-NE 3Å; P15-R45 PolarHBondContact O-NH2 3.21Å; A16-R45 PolarHBondContact O-NH2 3.37Å; F41-R45 WeakPolarHBondContact O-CA 3.2Å; F41-R45 PolarHBondContact O-N 3.33Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 PolarHBondContact O-N 2.92Å; E42-R45 WeakPolarHBondContact OE1-CD 3.08Å; E42-R45 IonicContact OE1-CZ 2.73Å; E42-R45 IonicContact OE1-NH1 3.17Å; E42-R45 PolarHBondContact OE1-NH1 3.18Å; E42-R45 IonicContact OE2-NH1 3.81Å; R45-Y51 HydrophobicContact CB-CE2 4.4Å; R45-Y51 HydrophobicContact CG-CE2 4.09Å
46	I	98.3	Very high	98	Very high	7 Å²	7	32 Å²	32	4%	0.036	19%	0.188	C	C	.	.			trans	-102.9	131.8	173.2	-61.1	163.7	0	0	0	109	H48 V49 Y51 I222 E223	I46-H48 VanDerWaalsContact C-N 3.3Å; I46-H48 WeakPolarHBondContact CG2-CE1 3.46Å; I46-H48 PolarHBondContact O-N 3.32Å; I46-H48 VanDerWaalsContact O-N 3.09Å; I46-V49 HydrophobicContact CB-CB 4.06Å; I46-V49 HydrophobicContact CB-CG2 3.73Å; I46-V49 HydrophobicContact CD1-CG2 4.32Å; I46-V49 HydrophobicContact CG2-CB 4.47Å; I46-V49 HydrophobicContact CG2-CG2 3.69Å; I46-V49 PolarHBondContact O-N 3.18Å; I46-Y51 PolarHBondContact N-OH 2.99Å; I46-I222 HydrophobicContact CD1-CB 3.75Å; I46-I222 HydrophobicContact CD1-CG2 3.35Å; I46-E223 HydrophobicContact CD1-CB 4.35Å; I46-E223 HydrophobicContact CD1-CG 3.48Å; I46-E223 VanDerWaalsContact CD1-CG 3.48Å; I46-E223 HydrophobicContact CG1-CG 3.89Å
47	P	97.8	Very high	98	Very high	59 Å²	59	33.4 Å²	33.4	38%	0.383	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.9	-166.5	-29.7	35.8	0	0	0	116.6	A16 A17 R18	A16-P47 CarbonylContact C-O 3.56Å; A17-P47 HydrophobicContact CB-CB 4.34Å; A17-P47 PolarHBondContact N-O 2.91Å; R18-P47 HydrophobicContact CG-CB 4.38Å; R18-P47 PolarHBondContact N-O 2.9Å
48	H	98.1	Very high	97.9	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.12	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7.5	-178.2	60	-85.5	0	0	0	113.8	T21 A22 I46 L226 P227 A228	T21-H48 PolarHBondContact N-O 2.91Å; T21-H48 PolarHBondContact OG1-CD2 2.82Å; A22-H48 PolarHBondContact N-O 3.22Å; I46-H48 VanDerWaalsContact C-N 3.3Å; I46-H48 WeakPolarHBondContact CG2-CE1 3.46Å; I46-H48 PolarHBondContact O-N 3.32Å; I46-H48 VanDerWaalsContact O-N 3.09Å; H48-L226 PolarHBondContact NE2-O 3.28Å; H48-P227 PolarHBondContact NE2-O 3.07Å; H48-A228 PolarHBondContact CE1-N 3.11Å; H48-A228 PolarHBondContact NE2-N 3.42Å
49	V	98.8	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.8	-179	-176.2	0	0	0	0	109.6	A16 A22 V24 I46 Y51 I222 L226	A16-V49 WeakPolarHBondContact CA-O 3.46Å; A22-V49 HydrophobicContact CB-CG2 4.21Å; A22-V49 WeakPolarHBondContact O-CA 3.41Å; V24-V49 HydrophobicContact CG2-CG1 3.77Å; I46-V49 HydrophobicContact CB-CB 4.06Å; I46-V49 HydrophobicContact CB-CG2 3.73Å; I46-V49 HydrophobicContact CD1-CG2 4.32Å; I46-V49 HydrophobicContact CG2-CB 4.47Å; I46-V49 HydrophobicContact CG2-CG2 3.69Å; I46-V49 PolarHBondContact O-N 3.18Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.43Å; V49-Y51 HydrophobicContact CG1-CE1 4.23Å; V49-Y51 HydrophobicContact CG1-CE2 3.95Å; V49-I222 HydrophobicContact CG1-CG2 4.48Å; V49-I222 HydrophobicContact CG2-CG2 4.46Å; V49-L226 HydrophobicContact CG1-CD1 4.41Å; V49-L226 HydrophobicContact CG2-CB 4.47Å; V49-L226 HydrophobicContact CG2-CD1 4.49Å
50	K	98.6	Very high	97.9	Very high	39 Å²	39	35 Å²	35	17%	0.17	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.1	168.9	176.3	-171.7	171.9	-162.9	0	109	I13 A20 A22 A23 V24 I52 E103	I13-K50 HydrophobicContact CG2-CG 4.25Å; A20-K50 HydrophobicContact CB-CB 4.06Å; A22-K50 PolarHBondContact O-N 3.09Å; A23-K50 CarbonylContact C-O 3.54Å; A23-K50 VanDerWaalsContact CA-O 3.23Å; A23-K50 WeakPolarHBondContact CA-O 3.23Å; V24-K50 PolarHBondContact N-O 3.11Å; K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CD-CG1 4.16Å; K50-I52 HydrophobicContact CG-CG1 4.13Å; K50-E103 IonicContact NZ-OE1 2.86Å; K50-E103 PolarHBondContact NZ-OE1 2.98Å; K50-E103 IonicContact NZ-OE2 3.65Å; K50-E103 PolarHBondContact NZ-OE2 2.93Å
51	Y	98.8	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.3	174.6	-50.5	-107.6	0	0	0	109.7	I13 V14 V24 F41 R45 I46 V49 I222	I13-Y51 WeakPolarHBondContact CA-O 3.35Å; V14-Y51 HydrophobicContact CB-CD2 4.04Å; V14-Y51 HydrophobicContact CB-CG 4.42Å; V14-Y51 HydrophobicContact CG1-CD2 3.97Å; V14-Y51 PolarHBondContact N-O 3.31Å; V14-Y51 PolarHBondContact O-N 2.91Å; V24-Y51 HydrophobicContact CB-CD1 3.7Å; V24-Y51 HydrophobicContact CB-CE1 4.2Å; V24-Y51 HydrophobicContact CB-CG 4.41Å; V24-Y51 HydrophobicContact CG1-CD1 4.11Å; V24-Y51 HydrophobicContact CG2-CD1 3.96Å; V24-Y51 HydrophobicContact CG2-CE1 3.93Å; V24-Y51 CarbonylContact O-C 3.59Å; V24-Y51 WeakPolarHBondContact O-CA 3.38Å; F41-Y51 HydrophobicContact CB-CD1 3.73Å; F41-Y51 HydrophobicContact CB-CD2 4.48Å; F41-Y51 HydrophobicContact CB-CE1 4.21Å; F41-Y51 HydrophobicContact CB-CG 3.89Å; F41-Y51 AromaticContact CD1-CD1 3.33Å; F41-Y51 HydrophobicContact CD1-CD1 3.33Å; F41-Y51 AromaticContact CD1-CE1 3.39Å; F41-Y51 HydrophobicContact CD1-CE1 3.39Å; F41-Y51 HydrophobicContact CD1-CG 4.33Å; F41-Y51 HydrophobicContact CD2-CD1 4.11Å; F41-Y51 AromaticContact CE1-CD1 3.96Å; F41-Y51 HydrophobicContact CE1-CD1 3.96Å; F41-Y51 HydrophobicContact CE1-CE1 4Å; F41-Y51 AromaticContact CG-CD1 3.44Å; F41-Y51 HydrophobicContact CG-CD1 3.44Å; F41-Y51 VanDerWaalsContact CG-CD1 3.44Å; F41-Y51 AromaticContact CG-CE1 3.95Å; F41-Y51 HydrophobicContact CG-CE1 3.95Å; F41-Y51 HydrophobicContact CG-CG 4.05Å; R45-Y51 HydrophobicContact CB-CE2 4.4Å; R45-Y51 HydrophobicContact CG-CE2 4.09Å; I46-Y51 PolarHBondContact N-OH 2.99Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.43Å; V49-Y51 HydrophobicContact CG1-CE1 4.23Å; V49-Y51 HydrophobicContact CG1-CE2 3.95Å; Y51-I222 HydrophobicContact CE1-CD1 4.09Å
52	I	98.8	Very high	97.9	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.046	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.1	-174.8	-56.4	161.4	0	0	0	107	P11 A23 V24 I25 F26 K50 P54 E103	P11-I52 HydrophobicContact CB-CG2 3.82Å; P11-I52 HydrophobicContact CG-CG2 4.19Å; A23-I52 HydrophobicContact CB-CD1 4.4Å; V24-I52 PolarHBondContact O-N 3.48Å; I25-I52 CarbonylContact C-O 3.58Å; I25-I52 WeakPolarHBondContact CA-O 3.21Å; I25-I52 HydrophobicContact CG1-CB 4.33Å; I25-I52 HydrophobicContact CG1-CD1 4.1Å; F26-I52 PolarHBondContact N-O 2.91Å; K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CD-CG1 4.16Å; K50-I52 HydrophobicContact CG-CG1 4.13Å; I52-P54 WeakPolarHBondContact O-CD 3.25Å; I52-E103 HydrophobicContact CD1-CG 3.6Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.34Å
53	C	98.8	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	85.2	179.4	-57.3	0	0	0	0	108.4	A12 F26 G34 A38	A12-C53 HydrophobicContact CB-CB 4.29Å; A12-C53 PolarHBondContact N-O 3.29Å; A12-C53 PolarHBondContact O-N 3.06Å; F26-C53 WeakPolarHBondContact O-CA 3.37Å; G34-C53 WeakPolarHBondContact O-CB 3.35Å; A38-C53 HydrophobicContact CB-CB 4.36Å
54	P	98.3	Very high	97.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-64.9	157.1	-179.7	28.9	-36.3	0	0	0	111.7	P11 I25 F26 L27 H28 I52 W72 M99	P11-P54 HydrophobicContact CB-CB 4.39Å; P11-P54 HydrophobicContact CG-CB 4.26Å; I25-P54 HydrophobicContact CG2-CG 4.44Å; F26-P54 WeakPolarHBondContact O-CD 3.42Å; L27-P54 HydrophobicContact CD2-CG 3.46Å; L27-P54 VanDerWaalsContact CD2-CG 3.46Å; H28-P54 PolarHBondContact CD2-O 3.25Å; H28-P54 VanDerWaalsContact CD2-O 3.26Å; I52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-W72 HydrophobicContact CB-CH2 3.97Å; P54-W72 HydrophobicContact CG-CH2 3.72Å; P54-W72 HydrophobicContact CG-CZ2 4.37Å; P54-M99 HydrophobicContact CB-CE 4.02Å; P54-M99 HydrophobicContact CB-SD 3.9Å; P54-M99 HydrophobicContact CG-CE 4.36Å; P54-M99 HydrophobicContact CG-SD 3.91Å
55	H	97.9	Very high	97.8	Very high	25 Å²	25	41 Å²	41	12%	0.116	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-94.7	128.6	172.7	-59.1	-64.1	0	0	0	110	P9 L10 G34 H35	P9-H55 HydrophobicContact CG-CB 3.85Å; L10-H55 PolarHBondContact O-CD2 3.43Å; L10-H55 PolarHBondContact O-NE2 3.13Å; G34-H55 PolarHBondContact N-CE1 2.8Å; G34-H55 PolarHBondContact N-ND1 3.28Å; G34-H55 VanDerWaalsContact N-ND1 3.13Å; H35-H55 AromaticContact CE1-CE1 3.41Å; H35-H55 PolarHBondContact CE1-CE1 3.2Å; H35-H55 VanDerWaalsContact CE1-CE1 3.41Å; H35-H55 AromaticContact CE1-NE2 3.67Å; H35-H55 AromaticContact ND1-CE1 3.41Å; H35-H55 PolarHBondContact ND1-CE1 3.34Å
56	A	97.7	Very high	97.8	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.7	145.8	170.3	0	0	0	0	0	110.5	H28 P70 W72	H28-A56 PolarHBondContact NE2-N 2.8Å; A56-P70 HydrophobicContact CB-CB 4.26Å; A56-W72 HydrophobicContact CB-CD2 3.73Å; A56-W72 HydrophobicContact CB-CE3 3.97Å; A56-W72 HydrophobicContact CB-CG 4.19Å; A56-W72 HydrophobicContact CB-CH2 4.12Å; A56-W72 HydrophobicContact CB-CZ2 3.93Å; A56-W72 HydrophobicContact CB-CZ3 4.16Å
57	P	96.2	Very high	97.7	Very high	68 Å²	68	52.1 Å²	52.1	44%	0.442	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-62.1	151.2	171.8	28.4	-34.4	0	0	0	110.7	P70 S71	P57-P70 WeakPolarHBondContact O-CA 3.49Å; P57-S71 PolarHBondContact O-N 3.41Å
58	T	96.9	Very high	97.7	Very high	103 Å²	103	53 Å²	53	63%	0.632	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.7	170.4	-61.1	0	0	0	0	109.4	M69	T58-M69 WeakPolarHBondContact CA-O 3.22Å
59	M	97.3	Very high	97.7	Very high	42 Å²	42	53.1 Å²	53.1	21%	0.207	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.2	178.5	62	178.7	-73.4	0	0	111.1	S68 M69 D74	M59-S68 WeakPolarHBondContact O-CA 3.47Å; M59-M69 PolarHBondContact N-O 3.45Å; M59-M69 PolarHBondContact O-N 3.13Å; M59-M69 VanDerWaalsContact O-O 3.11Å; M59-D74 HydrophobicContact CE-CB 4Å
60	P	98	Very high	97.7	Very high	66 Å²	66	54.5 Å²	54.5	43%	0.429	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.3	171.3	27.2	-34.6	0	0	0	110.6	R66	P60-R66 HydrophobicContact CB-CB 4.18Å; P60-R66 WeakPolarHBondContact CB-O 3.41Å
61	V	98.4	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.4	179.4	178.5	0	0	0	0	110.1	L30 L63 N64 R66 M67 M69 D74 I75	L30-V61 HydrophobicContact CD1-CG1 4.19Å; L30-V61 HydrophobicContact CD1-CG2 3.84Å; L30-V61 HydrophobicContact CD2-CG1 4.32Å; V61-L63 HydrophobicContact CG1-CB 4.2Å; V61-L63 PolarHBondContact O-N 2.91Å; V61-N64 HydrophobicContact CB-CB 4.47Å; V61-N64 HydrophobicContact CG1-CB 4.48Å; V61-N64 CarbonylContact O-C 3.56Å; V61-N64 PolarHBondContact O-N 2.99Å; V61-R66 WeakPolarHBondContact O-CA 3.39Å; V61-R66 PolarHBondContact O-N 3.3Å; V61-M67 PolarHBondContact N-O 3Å; V61-M67 VanDerWaalsContact N-O 3.08Å; V61-M69 HydrophobicContact CB-CG 4.46Å; V61-M69 HydrophobicContact CG2-CG 3.82Å; V61-M69 HydrophobicContact CG2-SD 4.44Å; V61-D74 WeakPolarHBondContact CA-OD1 3.32Å; V61-I75 HydrophobicContact CG1-CB 4.36Å
62	S	97.9	Very high	97.6	Very high	45 Å²	45	53.7 Å²	53.7	32%	0.315	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.1	-43.6	-174.9	-72.5	0	0	0	0	112.8	N64 M65 D74	S62-N64 PolarHBondContact O-N 2.93Å; S62-N64 VanDerWaalsContact O-N 3.16Å; S62-M65 PolarHBondContact O-N 3Å; S62-M65 VanDerWaalsContact O-N 3.17Å; S62-D74 WeakPolarHBondContact CB-OD2 3.38Å; S62-D74 PolarHBondContact N-OD1 2.84Å; S62-D74 PolarHBondContact OG-OD2 3.02Å
63	L	96.6	Very high	97.6	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.325	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.9	175	-178.3	68.1	0	0	0	112.4	V61 I75 L78	V61-L63 HydrophobicContact CG1-CB 4.2Å; V61-L63 PolarHBondContact O-N 2.91Å; L63-I75 HydrophobicContact CB-CB 4.27Å; L63-I75 HydrophobicContact CB-CG2 4.08Å; L63-I75 VanDerWaalsContact CB-O 3.25Å; L63-I75 WeakPolarHBondContact CB-O 3.47Å; L63-I75 HydrophobicContact CD2-CB 4.49Å; L63-I75 HydrophobicContact CD2-CG2 3.76Å; L63-I75 HydrophobicContact CG-CG2 4.45Å; L63-I75 PolarHBondContact N-O 2.75Å; L63-L78 HydrophobicContact CD1-CG 4.5Å; L63-L78 HydrophobicContact CD2-CD1 4.05Å; L63-L78 HydrophobicContact CD2-CD2 4.13Å; L63-L78 HydrophobicContact CD2-CG 3.89Å
64	N	96.6	Very high	97.6	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.294	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-102.9	40.6	-177.3	-69.2	-18.9	0	0	0	111.9	V61 S62 R66 M67 M69	V61-N64 HydrophobicContact CB-CB 4.47Å; V61-N64 HydrophobicContact CG1-CB 4.48Å; V61-N64 CarbonylContact O-C 3.56Å; V61-N64 PolarHBondContact O-N 2.99Å; S62-N64 PolarHBondContact O-N 2.93Å; S62-N64 VanDerWaalsContact O-N 3.16Å; N64-R66 PolarHBondContact O-N 2.93Å; N64-M67 HydrophobicContact CB-CB 4.5Å; N64-M67 WeakPolarHBondContact O-CB 3.29Å; N64-M67 PolarHBondContact O-N 2.95Å; N64-M69 HydrophobicContact CB-CE 3.64Å; N64-M69 HydrophobicContact CB-SD 4.46Å; N64-M69 VanDerWaalsContact ND2-CE 3.31Å; N64-M69 WeakPolarHBondContact ND2-CE 3.49Å; N64-M69 PolarHBondContact ND2-SD 3.15Å
65	M	96.9	Very high	97.5	Very high	176 Å²	176	54.9 Å²	54.9	87%	0.867	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	35.5	177.1	-60.1	176.7	-75.6	0	0	113.2	S62 M67	S62-M65 PolarHBondContact O-N 3Å; S62-M65 VanDerWaalsContact O-N 3.17Å; M65-M67 PolarHBondContact O-N 3.18Å
66	R	97.1	Very high	97.5	Very high	189 Å²	189	58.6 Å²	58.6	71%	0.713	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	18.9	-175.5	-55.7	-164.3	-174.4	-171.9	3.3	115.2	P60 V61 N64 S68	P60-R66 HydrophobicContact CB-CB 4.18Å; P60-R66 WeakPolarHBondContact CB-O 3.41Å; V61-R66 WeakPolarHBondContact O-CA 3.39Å; V61-R66 PolarHBondContact O-N 3.3Å; N64-R66 PolarHBondContact O-N 2.93Å; R66-S68 PolarHBondContact O-N 3.25Å
67	M	96.9	Very high	97.2	Very high	121 Å²	121	59.5 Å²	59.5	60%	0.596	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.5	169.5	-174.2	178.1	-66	0	0	109.8	V61 N64 M65 M69	V61-M67 PolarHBondContact N-O 3Å; V61-M67 VanDerWaalsContact N-O 3.08Å; N64-M67 HydrophobicContact CB-CB 4.5Å; N64-M67 WeakPolarHBondContact O-CB 3.29Å; N64-M67 PolarHBondContact O-N 2.95Å; M65-M67 PolarHBondContact O-N 3.18Å; M67-M69 HydrophobicContact CB-CE 3.88Å; M67-M69 HydrophobicContact CG-CE 3.91Å; M67-M69 HydrophobicContact SD-CE 3.97Å
68	S	97.8	Very high	96.7	Very high	77 Å²	77	59.5 Å²	59.5	54%	0.538	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	125	178.3	-67.3	0	0	0	0	111.1	M59 R66	M59-S68 WeakPolarHBondContact O-CA 3.47Å; R66-S68 PolarHBondContact O-N 3.25Å
69	M	97.6	Very high	96.2	Very high	29 Å²	29	57.4 Å²	57.4	14%	0.143	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166	178.5	61.1	-172.1	70.2	0	0	110.3	L30 T58 M59 V61 N64 M67 S71	L30-M69 HydrophobicContact CD1-CG 4.12Å; L30-M69 HydrophobicContact CD1-SD 3.98Å; L30-M69 HydrophobicContact CD2-SD 4.31Å; L30-M69 HydrophobicContact CG-SD 4.06Å; T58-M69 WeakPolarHBondContact CA-O 3.22Å; M59-M69 PolarHBondContact N-O 3.45Å; M59-M69 PolarHBondContact O-N 3.13Å; M59-M69 VanDerWaalsContact O-O 3.11Å; V61-M69 HydrophobicContact CB-CG 4.46Å; V61-M69 HydrophobicContact CG2-CG 3.82Å; V61-M69 HydrophobicContact CG2-SD 4.44Å; N64-M69 HydrophobicContact CB-CE 3.64Å; N64-M69 HydrophobicContact CB-SD 4.46Å; N64-M69 VanDerWaalsContact ND2-CE 3.31Å; N64-M69 WeakPolarHBondContact ND2-CE 3.49Å; N64-M69 PolarHBondContact ND2-SD 3.15Å; M67-M69 HydrophobicContact CB-CE 3.88Å; M67-M69 HydrophobicContact CG-CE 3.91Å; M67-M69 HydrophobicContact SD-CE 3.97Å; M69-S71 PolarHBondContact O-N 3Å
70	P	98.1	Very high	95.2	Very high	30 Å²	30	57.1 Å²	57.1	20%	0.195	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	120.6	172.4	-26.1	35.8	0	0	0	111.4	G31 D32 A56 P57	G31-P70 PolarHBondContact N-O 3.03Å; D32-P70 VanDerWaalsContact O-CB 3.24Å; D32-P70 WeakPolarHBondContact O-CB 3.47Å; D32-P70 WeakPolarHBondContact O-CG 3.49Å; A56-P70 HydrophobicContact CB-CB 4.26Å; P57-P70 WeakPolarHBondContact O-CA 3.49Å
71	S	98.4	Very high	94.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.			trans	-152.5	140.9	178.4	-167.4	0	0	0	0	110.8	L30 P57 M69 F73 Q120	L30-S71 WeakPolarHBondContact CD1-OG 3.37Å; P57-S71 PolarHBondContact O-N 3.41Å; M69-S71 PolarHBondContact O-N 3Å; S71-F73 PolarHBondContact OG-O 3.42Å; S71-Q120 PolarHBondContact OG-NE2 2.65Å; S71-Q120 PolarHBondContact OG-OE1 2.91Å
72	W	98.5	Very high	94.1	Very high	21 Å²	21	62.2 Å²	62.2	8%	0.08	33%	0.325	C	S	.	.	S	Bend	trans	-76.8	-34.8	179.6	-62.6	105.7	0	0	0	112.6	L27 H28 P54 A56 A92 Q120 L124	L27-W72 HydrophobicContact CB-CZ2 3.97Å; L27-W72 HydrophobicContact CD2-CH2 3.93Å; L27-W72 HydrophobicContact CD2-CZ2 3.93Å; L27-W72 HydrophobicContact CD2-CZ3 4.46Å; L27-W72 HydrophobicContact CG-CZ2 4.49Å; H28-W72 AromaticContact CD2-CZ2 3.85Å; H28-W72 AromaticContact NE2-CZ2 3.87Å; H28-W72 PolarHBondContact O-NE1 2.96Å; P54-W72 HydrophobicContact CB-CH2 3.97Å; P54-W72 HydrophobicContact CG-CH2 3.72Å; P54-W72 HydrophobicContact CG-CZ2 4.37Å; A56-W72 HydrophobicContact CB-CD2 3.73Å; A56-W72 HydrophobicContact CB-CE3 3.97Å; A56-W72 HydrophobicContact CB-CG 4.19Å; A56-W72 HydrophobicContact CB-CH2 4.12Å; A56-W72 HydrophobicContact CB-CZ2 3.93Å; A56-W72 HydrophobicContact CB-CZ3 4.16Å; W72-A92 HydrophobicContact CB-CB 4.48Å; W72-A92 WeakPolarHBondContact O-CB 3.47Å; W72-Q120 HydrophobicContact CB-CG 4.49Å; W72-L124 HydrophobicContact CB-CD2 3.75Å; W72-L124 HydrophobicContact CD2-CD2 4Å; W72-L124 HydrophobicContact CE3-CD2 4.1Å; W72-L124 HydrophobicContact CG-CD2 3.86Å
73	F	98.6	Very high	94	Very high	5 Å²	5	67.6 Å²	67.6	2%	0.022	35%	0.345	C	S	.	.	S	Bend	trans	-154.3	169.4	178.2	49.3	-95.9	0	0	0	109.1	S71 I75 I89 Q120 L124 W145	S71-F73 PolarHBondContact OG-O 3.42Å; F73-I75 HydrophobicContact CE2-CG1 4.41Å; F73-I89 HydrophobicContact CB-CG1 4.07Å; F73-I89 HydrophobicContact CD1-CG1 3.76Å; F73-I89 HydrophobicContact CD2-CD1 4.16Å; F73-I89 HydrophobicContact CD2-CG1 3.54Å; F73-I89 HydrophobicContact CE1-CG1 4Å; F73-I89 HydrophobicContact CE2-CD1 4.16Å; F73-I89 HydrophobicContact CE2-CG1 3.81Å; F73-I89 HydrophobicContact CG-CG1 3.52Å; F73-I89 HydrophobicContact CZ-CG1 4.02Å; F73-Q120 HydrophobicContact CD1-CG 4.25Å; F73-Q120 HydrophobicContact CD2-CG 4.43Å; F73-Q120 HydrophobicContact CE1-CG 3.59Å; F73-Q120 HydrophobicContact CE2-CG 3.81Å; F73-Q120 HydrophobicContact CZ-CG 3.35Å; F73-Q120 PolarHBondContact O-NE2 2.91Å; F73-L124 HydrophobicContact CE1-CB 4.13Å; F73-W145 HydrophobicContact CE2-CZ2 4.48Å; F73-W145 HydrophobicContact CZ-CZ2 4.48Å
74	D	98.4	Very high	94.1	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.112	34%	0.341	C	S	.	.			trans	-74	146.7	178.3	-158.6	-0.1	0	0	0	111.4	M59 V61 S62 Y76 D85	M59-D74 HydrophobicContact CE-CB 4Å; V61-D74 WeakPolarHBondContact CA-OD1 3.32Å; S62-D74 WeakPolarHBondContact CB-OD2 3.38Å; S62-D74 PolarHBondContact N-OD1 2.84Å; S62-D74 PolarHBondContact OG-OD2 3.02Å; D74-Y76 HydrophobicContact CB-CE1 3.86Å; D74-Y76 VanDerWaalsContact OD2-CE1 3.28Å; D74-Y76 WeakPolarHBondContact OD2-CE1 3.35Å; D74-D85 HydrophobicContact CB-CB 4.02Å; D74-D85 PolarHBondContact N-OD2 3.3Å; D74-D85 WeakPolarHBondContact O-CB 3.46Å
75	I	96.9	Very high	94.2	Very high	12 Å²	12	65.5 Å²	65.5	6%	0.062	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-116.4	122.2	175.2	-62.1	172.1	0	0	0	107.3	L30 V61 L63 F73 L78 Q120	L30-I75 HydrophobicContact CB-CD1 4.38Å; L30-I75 HydrophobicContact CD1-CD1 4.46Å; L30-I75 HydrophobicContact CD2-CD1 4.1Å; V61-I75 HydrophobicContact CG1-CB 4.36Å; L63-I75 HydrophobicContact CB-CB 4.27Å; L63-I75 HydrophobicContact CB-CG2 4.08Å; L63-I75 VanDerWaalsContact CB-O 3.25Å; L63-I75 WeakPolarHBondContact CB-O 3.47Å; L63-I75 HydrophobicContact CD2-CB 4.49Å; L63-I75 HydrophobicContact CD2-CG2 3.76Å; L63-I75 HydrophobicContact CG-CG2 4.45Å; L63-I75 PolarHBondContact N-O 2.75Å; F73-I75 HydrophobicContact CE2-CG1 4.41Å; I75-L78 HydrophobicContact CG2-CD2 4.3Å; I75-Q120 HydrophobicContact CD1-CB 4.39Å; I75-Q120 HydrophobicContact CD1-CG 4.17Å; I75-Q120 VanDerWaalsContact CD1-NE2 3.33Å
76	Y	96.4	Very high	94.2	Very high	103 Å²	103	61.7 Å²	61.7	40%	0.404	31%	0.312	S	S	.	.			trans	-95.3	-27	178.9	-53	-38.3	0	0	0	112.8	D74 E83 D85	D74-Y76 HydrophobicContact CB-CE1 3.86Å; D74-Y76 VanDerWaalsContact OD2-CE1 3.28Å; D74-Y76 WeakPolarHBondContact OD2-CE1 3.35Å; Y76-E83 HydrophobicContact CD2-CB 3.96Å; Y76-E83 VanDerWaalsContact CD2-O 3.3Å; Y76-E83 WeakPolarHBondContact CD2-O 3.47Å; Y76-D85 HydrophobicContact CE2-CB 4.19Å
77	G	91.6	Very high	94.3	Very high	24 Å²	24	55.8 Å²	55.8	25%	0.247	30%	0.304	C	S	.	.			trans	-169.4	168	-178.5	0	0	0	0	0	112.6
78	L	85.9	Confident	94.4	Very high	69 Å²	69	50.1 Å²	50.1	36%	0.361	28%	0.276	S	S	.	.	S	Bend	trans	-114.3	21	177.8	-60.6	175.8	0	0	0	112.2	L63 I75 F181	L63-L78 HydrophobicContact CD1-CG 4.5Å; L63-L78 HydrophobicContact CD2-CD1 4.05Å; L63-L78 HydrophobicContact CD2-CD2 4.13Å; L63-L78 HydrophobicContact CD2-CG 3.89Å; I75-L78 HydrophobicContact CG2-CD2 4.3Å; L78-F181 VanDerWaalsContact O-CE2 3.22Å; L78-F181 WeakPolarHBondContact O-CE2 3.41Å; L78-F181 WeakPolarHBondContact O-CZ 3.28Å
79	S	86.1	Confident	94.4	Very high	59 Å²	59	46.4 Å²	46.4	41%	0.413	25%	0.25	S	S	.	.	S	Bend	trans	-101.1	157.9	174	71.4	0	0	0	0	111.3	E81 A82	S79-E81 PolarHBondContact O-N 3.02Å; S79-A82 WeakPolarHBondContact O-CB 3.26Å; S79-A82 PolarHBondContact O-N 3.36Å; S79-A82 VanDerWaalsContact O-N 3.15Å; S79-A82 PolarHBondContact OG-N 3.47Å
80	P	76.2	Confident	94.5	Very high	35 Å²	35	49.3 Å²	49.3	23%	0.227	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25	177.6	-18	29.4	0	0	0	113.9	R149 F181	P80-R149 PolarHBondContact O-NH1 3.35Å; P80-R149 PolarHBondContact O-NH2 2.92Å; P80-F181 VanDerWaalsContact CD-CZ 3.42Å; P80-F181 HydrophobicContact CG-CD1 4.24Å; P80-F181 HydrophobicContact CG-CE1 3.39Å; P80-F181 HydrophobicContact CG-CZ 3.61Å
81	E	84.1	Confident	94.5	Very high	147 Å²	147	55.2 Å²	55.2	69%	0.687	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.1	-178.6	-57.4	70.9	-146.2	0	0	113	S79 E83	S79-E81 PolarHBondContact O-N 3.02Å; E81-E83 PolarHBondContact O-N 3.04Å
82	A	90.5	Very high	94.5	Very high	26 Å²	26	55.4 Å²	55.4	22%	0.215	28%	0.282	C	S	.	.	S	Bend	trans	-58	138.3	177.5	0	0	0	0	0	110.3	S79	S79-A82 WeakPolarHBondContact O-CB 3.26Å; S79-A82 PolarHBondContact O-N 3.36Å; S79-A82 VanDerWaalsContact O-N 3.15Å; S79-A82 PolarHBondContact OG-N 3.47Å
83	E	95.5	Very high	94.5	Very high	159 Å²	159	54.4 Å²	54.4	74%	0.743	28%	0.278	S	S	*	.			trans	-62.8	150.2	167.1	-65.5	-172	153.2	0	0	109.4	Y76 E81	Y76-E83 HydrophobicContact CD2-CB 3.96Å; Y76-E83 VanDerWaalsContact CD2-O 3.3Å; Y76-E83 WeakPolarHBondContact CD2-O 3.47Å; E81-E83 PolarHBondContact O-N 3.04Å
84	E	97.7	Very high	94.5	Very high	53 Å²	53	59.2 Å²	59.2	25%	0.248	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-118.2	147.1	179.6	-65	-178.3	106.8	0	0	109.7	E86 I89 W145 P147 L148	E84-E86 PolarHBondContact O-N 3.41Å; E84-I89 HydrophobicContact CB-CD1 3.99Å; E84-W145 PolarHBondContact OE1-NE1 3.37Å; E84-W145 VanDerWaalsContact OE1-NE1 3.15Å; E84-P147 WeakPolarHBondContact OE1-CA 3.36Å; E84-P147 WeakPolarHBondContact OE1-CB 3.45Å; E84-L148 HydrophobicContact CB-CD2 3.93Å; E84-L148 PolarHBondContact OE1-N 3.4Å; E84-L148 VanDerWaalsContact OE2-CA 3.32Å; E84-L148 WeakPolarHBondContact OE2-CA 3.35Å; E84-L148 PolarHBondContact OE2-N 3.01Å
85	D	98.2	Very high	94.5	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.102	32%	0.319	C	S	.	.			trans	-72.8	73.8	175.8	179	14.2	0	0	0	111.1	D74 Y76 A87 G88 I89	D74-D85 HydrophobicContact CB-CB 4.02Å; D74-D85 PolarHBondContact N-OD2 3.3Å; D74-D85 WeakPolarHBondContact O-CB 3.46Å; Y76-D85 HydrophobicContact CE2-CB 4.19Å; D85-A87 VanDerWaalsContact C-N 3.25Å; D85-A87 PolarHBondContact O-N 3.34Å; D85-G88 PolarHBondContact O-N 2.87Å; D85-G88 VanDerWaalsContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 3.15Å; D85-G88 VanDerWaalsContact OD2-CA 3.29Å; D85-G88 WeakPolarHBondContact OD2-CA 3.34Å; D85-I89 WeakPolarHBondContact O-CB 3.5Å; D85-I89 WeakPolarHBondContact O-CD1 3.49Å; D85-I89 VanDerWaalsContact O-CG1 3.24Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 2.81Å
86	E	98.5	Very high	94.6	Very high	97 Å²	97	62 Å²	62	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-53.7	-42.8	-176.3	175.9	171.5	-179.3	0	0	112.5	E84 K90 L148	E84-E86 PolarHBondContact O-N 3.41Å; E86-K90 HydrophobicContact CG-CD 4.2Å; E86-K90 WeakPolarHBondContact O-CB 3Å; E86-K90 WeakPolarHBondContact O-CG 3.39Å; E86-K90 PolarHBondContact O-N 3.35Å; E86-K90 WeakPolarHBondContact OE1-CE 3.41Å; E86-K90 IonicContact OE1-NZ 3.72Å; E86-K90 PolarHBondContact OE1-NZ 2.96Å; E86-L148 HydrophobicContact CB-CD1 4.21Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.82Å; E86-L148 HydrophobicContact CG-CD2 4.19Å
87	A	98.5	Very high	94.7	Very high	65 Å²	65	58.5 Å²	58.5	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-43.4	179.7	0	0	0	0	0	111.7	D85 R91	D85-A87 VanDerWaalsContact C-N 3.25Å; D85-A87 PolarHBondContact O-N 3.34Å; A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 PolarHBondContact O-N 3.24Å
88	G	98.6	Very high	95	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-42.9	175.9	0	0	0	0	0	113.2	D85 K90 R91 A92	D85-G88 PolarHBondContact O-N 2.87Å; D85-G88 VanDerWaalsContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 3.15Å; D85-G88 VanDerWaalsContact OD2-CA 3.29Å; D85-G88 WeakPolarHBondContact OD2-CA 3.34Å; G88-K90 PolarHBondContact O-N 3.18Å; G88-R91 PolarHBondContact O-N 2.91Å; G88-A92 VanDerWaalsContact O-CB 3.29Å; G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 3.48Å
89	I	98.8	Very high	95.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-47.8	176.8	-68.5	158.2	0	0	0	110.4	F73 E84 D85 A92 S93 Y127 P147 L148	F73-I89 HydrophobicContact CB-CG1 4.07Å; F73-I89 HydrophobicContact CD1-CG1 3.76Å; F73-I89 HydrophobicContact CD2-CD1 4.16Å; F73-I89 HydrophobicContact CD2-CG1 3.54Å; F73-I89 HydrophobicContact CE1-CG1 4Å; F73-I89 HydrophobicContact CE2-CD1 4.16Å; F73-I89 HydrophobicContact CE2-CG1 3.81Å; F73-I89 HydrophobicContact CG-CG1 3.52Å; F73-I89 HydrophobicContact CZ-CG1 4.02Å; E84-I89 HydrophobicContact CB-CD1 3.99Å; D85-I89 WeakPolarHBondContact O-CB 3.5Å; D85-I89 WeakPolarHBondContact O-CD1 3.49Å; D85-I89 VanDerWaalsContact O-CG1 3.24Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 2.81Å; I89-A92 PolarHBondContact O-N 3.32Å; I89-S93 WeakPolarHBondContact O-CB 3.24Å; I89-S93 PolarHBondContact O-N 3.42Å; I89-Y127 HydrophobicContact CG2-CD1 3.82Å; I89-Y127 HydrophobicContact CG2-CD2 4.25Å; I89-Y127 HydrophobicContact CG2-CE1 4Å; I89-Y127 HydrophobicContact CG2-CE2 4.42Å; I89-Y127 HydrophobicContact CG2-CG 3.95Å; I89-P147 HydrophobicContact CD1-CB 4.03Å; I89-P147 HydrophobicContact CG2-CG 4.3Å; I89-L148 HydrophobicContact CB-CD1 4.33Å; I89-L148 HydrophobicContact CD1-CD1 4.38Å; I89-L148 HydrophobicContact CD1-CD2 4.16Å; I89-L148 HydrophobicContact CD1-CG 4.05Å; I89-L148 HydrophobicContact CG2-CD1 4.04Å
90	K	98.7	Very high	96.2	Very high	90 Å²	90	56 Å²	56	39%	0.391	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-47.1	176.9	-75.5	177.2	-175.9	176.6	0	111.8	E86 G88 A92 S93 E94 Y127	E86-K90 HydrophobicContact CG-CD 4.2Å; E86-K90 WeakPolarHBondContact O-CB 3Å; E86-K90 WeakPolarHBondContact O-CG 3.39Å; E86-K90 PolarHBondContact O-N 3.35Å; E86-K90 WeakPolarHBondContact OE1-CE 3.41Å; E86-K90 IonicContact OE1-NZ 3.72Å; E86-K90 PolarHBondContact OE1-NZ 2.96Å; G88-K90 PolarHBondContact O-N 3.18Å; K90-A92 PolarHBondContact O-N 3.26Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.48Å; K90-E94 WeakPolarHBondContact O-CG 3.34Å; K90-E94 PolarHBondContact O-N 3.37Å; K90-Y127 HydrophobicContact CG-CE1 4.39Å; K90-Y127 WeakPolarHBondContact CG-OH 3.39Å
91	R	98.7	Very high	97.3	Very high	154 Å²	154	57.4 Å²	57.4	58%	0.581	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-43.3	177.8	176.2	173.5	50.8	-137.8	-8.6	112.2	A87 G88 S93 E94 N95	A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 PolarHBondContact O-N 3.24Å; G88-R91 PolarHBondContact O-N 2.91Å; R91-S93 VanDerWaalsContact C-N 3.33Å; R91-E94 PolarHBondContact O-N 2.94Å; R91-N95 PolarHBondContact O-N 3.26Å; R91-N95 VanDerWaalsContact O-N 3.12Å; R91-N95 PolarHBondContact O-ND2 3.4Å
92	A	98.7	Very high	98	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-38.6	177	0	0	0	0	0	111.6	W72 G88 I89 K90 N95 V96 L124	W72-A92 HydrophobicContact CB-CB 4.48Å; W72-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 VanDerWaalsContact O-CB 3.29Å; G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 3.48Å; I89-A92 PolarHBondContact O-N 3.32Å; K90-A92 PolarHBondContact O-N 3.26Å; A92-N95 WeakPolarHBondContact O-CB 3.48Å; A92-N95 PolarHBondContact O-N 3.34Å; A92-V96 WeakPolarHBondContact O-CG2 3.34Å; A92-V96 PolarHBondContact O-N 2.86Å; A92-L124 HydrophobicContact CB-CD1 3.9Å; A92-L124 HydrophobicContact CB-CD2 3.63Å; A92-L124 HydrophobicContact CB-CG 4.47Å
93	S	98.8	Very high	98.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-44.4	174.9	178.4	0	0	0	0	111.6	I89 K90 R91 N95 V96 K97 T128	I89-S93 WeakPolarHBondContact O-CB 3.24Å; I89-S93 PolarHBondContact O-N 3.42Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.48Å; R91-S93 VanDerWaalsContact C-N 3.33Å; S93-N95 VanDerWaalsContact C-N 3.31Å; S93-N95 PolarHBondContact O-N 2.83Å; S93-V96 PolarHBondContact O-N 2.98Å; S93-K97 WeakPolarHBondContact O-CG 3.43Å; S93-K97 PolarHBondContact O-N 2.83Å; S93-K97 WeakPolarHBondContact OG-CE 3.41Å; S93-T128 WeakPolarHBondContact OG-CA 3.41Å; S93-T128 PolarHBondContact OG-OG1 3.36Å
94	E	98.6	Very high	98.5	Very high	106 Å²	106	50 Å²	50	50%	0.495	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-36.8	174.8	-64.5	-48.2	126.8	0	0	112.5	K90 R91 K97 A98	K90-E94 WeakPolarHBondContact O-CG 3.34Å; K90-E94 PolarHBondContact O-N 3.37Å; R91-E94 PolarHBondContact O-N 2.94Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.77Å; E94-K97 PolarHBondContact OE1-NZ 3.41Å; E94-A98 PolarHBondContact O-N 3.03Å
95	N	98.2	Very high	98.5	Very high	92 Å²	92	55.9 Å²	55.9	49%	0.492	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-40.9	174.3	-66.3	-23.3	0	0	0	111.9	R91 A92 S93 A98 M99	R91-N95 PolarHBondContact O-N 3.26Å; R91-N95 VanDerWaalsContact O-N 3.12Å; R91-N95 PolarHBondContact O-ND2 3.4Å; A92-N95 WeakPolarHBondContact O-CB 3.48Å; A92-N95 PolarHBondContact O-N 3.34Å; S93-N95 VanDerWaalsContact C-N 3.31Å; S93-N95 PolarHBondContact O-N 2.83Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.02Å; N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.92Å; N95-M99 VanDerWaalsContact O-N 3.15Å
96	V	98.6	Very high	98.5	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-38.4	175.7	178.5	0	0	0	0	110.9	L27 A92 S93 A98 M99 I100 L115 L124 T128	L27-V96 HydrophobicContact CD1-CG1 4.48Å; L27-V96 HydrophobicContact CD1-CG2 3.75Å; L27-V96 HydrophobicContact CD2-CG2 4.22Å; A92-V96 WeakPolarHBondContact O-CG2 3.34Å; A92-V96 PolarHBondContact O-N 2.86Å; S93-V96 PolarHBondContact O-N 2.98Å; V96-A98 VanDerWaalsContact C-N 3.31Å; V96-A98 PolarHBondContact O-N 2.85Å; V96-M99 WeakPolarHBondContact O-CB 3.43Å; V96-M99 PolarHBondContact O-N 2.7Å; V96-M99 VanDerWaalsContact O-N 3.1Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 3.19Å; V96-L115 HydrophobicContact CG1-CD1 4.2Å; V96-L115 HydrophobicContact CG1-CD2 3.98Å; V96-L124 HydrophobicContact CG2-CD2 3.99Å; V96-L124 HydrophobicContact CG2-CG 4.3Å; V96-T128 HydrophobicContact CB-CG2 3.95Å; V96-T128 HydrophobicContact CG1-CG2 3.82Å
97	K	98.6	Very high	98.5	Very high	28 Å²	28	58.2 Å²	58.2	12%	0.122	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-40.3	172.2	-69.5	170.9	-165.9	172.7	0	112	S93 E94 M99 I100 D101 T128 T131	S93-K97 WeakPolarHBondContact O-CG 3.43Å; S93-K97 PolarHBondContact O-N 2.83Å; S93-K97 WeakPolarHBondContact OG-CE 3.41Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.77Å; E94-K97 PolarHBondContact OE1-NZ 3.41Å; K97-M99 VanDerWaalsContact C-N 3.3Å; K97-M99 PolarHBondContact O-N 3.08Å; K97-I100 WeakPolarHBondContact O-CB 3.39Å; K97-I100 PolarHBondContact O-N 3.01Å; K97-D101 PolarHBondContact O-N 3.19Å; K97-T128 HydrophobicContact CG-CG2 3.85Å; K97-T131 PolarHBondContact NZ-O 3.07Å; K97-T131 PolarHBondContact NZ-OG1 3.21Å
98	A	98.3	Very high	98.5	Very high	54 Å²	54	55.5 Å²	55.5	45%	0.446	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-34	174.4	0	0	0	0	0	112.8	E94 N95 V96 D101 Q102	E94-A98 PolarHBondContact O-N 3.03Å; N95-A98 WeakPolarHBondContact O-CB 3.41Å; N95-A98 PolarHBondContact O-N 3.02Å; V96-A98 VanDerWaalsContact C-N 3.31Å; V96-A98 PolarHBondContact O-N 2.85Å; A98-D101 PolarHBondContact O-N 3.14Å; A98-Q102 PolarHBondContact O-N 2.96Å
99	M	98.2	Very high	98.5	Very high	45 Å²	45	57.9 Å²	57.9	22%	0.222	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-39.9	172.5	-62.5	178	-154.7	0	0	111.8	I25 P54 N95 V96 K97 D101 Q102 E103	I25-M99 HydrophobicContact CD1-CB 4.22Å; P54-M99 HydrophobicContact CB-CE 4.02Å; P54-M99 HydrophobicContact CB-SD 3.9Å; P54-M99 HydrophobicContact CG-CE 4.36Å; P54-M99 HydrophobicContact CG-SD 3.91Å; N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.92Å; N95-M99 VanDerWaalsContact O-N 3.15Å; V96-M99 WeakPolarHBondContact O-CB 3.43Å; V96-M99 PolarHBondContact O-N 2.7Å; V96-M99 VanDerWaalsContact O-N 3.1Å; K97-M99 VanDerWaalsContact C-N 3.3Å; K97-M99 PolarHBondContact O-N 3.08Å; M99-D101 VanDerWaalsContact C-N 3.34Å; M99-Q102 WeakPolarHBondContact O-CB 3.43Å; M99-Q102 PolarHBondContact O-N 2.81Å; M99-E103 PolarHBondContact O-N 3.12Å; M99-E103 VanDerWaalsContact O-N 3.13Å
100	I	98.6	Very high	98.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-48.2	172.5	-64.1	163.6	0	0	0	109.8	I25 V96 K97 Q102 E103 V104 I113 L115 L136	I25-I100 HydrophobicContact CD1-CG1 3.96Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 3.19Å; K97-I100 WeakPolarHBondContact O-CB 3.39Å; K97-I100 PolarHBondContact O-N 3.01Å; I100-Q102 PolarHBondContact O-N 3.43Å; I100-E103 PolarHBondContact O-N 3.41Å; I100-E103 VanDerWaalsContact O-N 3.15Å; I100-V104 HydrophobicContact CG2-CG2 4.34Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.32Å; I100-V104 PolarHBondContact O-N 3.1Å; I100-I113 HydrophobicContact CG2-CD1 4.04Å; I100-L115 HydrophobicContact CD1-CD1 4.12Å; I100-L115 HydrophobicContact CD1-CD2 4.04Å; I100-L115 HydrophobicContact CD1-CG 4.36Å; I100-L115 HydrophobicContact CG1-CD2 4.15Å; I100-L136 HydrophobicContact CD1-CD1 4.32Å; I100-L136 HydrophobicContact CD1-CD2 4.09Å; I100-L136 HydrophobicContact CG2-CD2 4.15Å
101	D	98.5	Very high	98.4	Very high	65 Å²	65	59.6 Å²	59.6	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-37.3	177.7	-72.7	-23.4	0	0	0	112.5	K97 A98 M99 V104 K105 Q134	K97-D101 PolarHBondContact O-N 3.19Å; A98-D101 PolarHBondContact O-N 3.14Å; M99-D101 VanDerWaalsContact C-N 3.34Å; D101-V104 PolarHBondContact O-N 3.31Å; D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.45Å; D101-K105 PolarHBondContact O-N 2.88Å; D101-Q134 PolarHBondContact OD1-NE2 3.25Å
102	Q	98.3	Very high	98.4	Very high	114 Å²	114	53 Å²	53	53%	0.533	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-44.1	177.2	-174.5	175.5	5.4	0	0	111.5	A98 M99 I100 V104 K105 N106	A98-Q102 PolarHBondContact O-N 2.96Å; M99-Q102 WeakPolarHBondContact O-CB 3.43Å; M99-Q102 PolarHBondContact O-N 2.81Å; I100-Q102 PolarHBondContact O-N 3.43Å; Q102-V104 VanDerWaalsContact C-N 3.35Å; Q102-K105 PolarHBondContact O-N 3Å; Q102-N106 WeakPolarHBondContact O-CB 3.2Å; Q102-N106 PolarHBondContact O-N 3.48Å; Q102-N106 PolarHBondContact O-ND2 3.2Å
103	E	98.6	Very high	98.5	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-35.2	177	-63.9	-57.1	120.6	0	0	112.2	K50 I52 M99 I100 N106 G107 I108 I113	K50-E103 IonicContact NZ-OE1 2.86Å; K50-E103 PolarHBondContact NZ-OE1 2.98Å; K50-E103 IonicContact NZ-OE2 3.65Å; K50-E103 PolarHBondContact NZ-OE2 2.93Å; I52-E103 HydrophobicContact CD1-CG 3.6Å; I52-E103 WeakPolarHBondContact CD1-OE2 3.34Å; M99-E103 PolarHBondContact O-N 3.12Å; M99-E103 VanDerWaalsContact O-N 3.13Å; I100-E103 PolarHBondContact O-N 3.41Å; I100-E103 VanDerWaalsContact O-N 3.15Å; E103-N106 CarbonylContact O-C 3.57Å; E103-N106 PolarHBondContact O-N 3.32Å; E103-G107 PolarHBondContact O-N 3.29Å; E103-I108 PolarHBondContact O-N 2.79Å; E103-I113 HydrophobicContact CB-CD1 3.73Å
104	V	98.6	Very high	98.5	Very high	51 Å²	51	52.9 Å²	52.9	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-47.1	171.2	174.8	0	0	0	0	111.3	I100 D101 Q102 N106 G107 I108 I113	I100-V104 HydrophobicContact CG2-CG2 4.34Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.32Å; I100-V104 PolarHBondContact O-N 3.1Å; D101-V104 PolarHBondContact O-N 3.31Å; Q102-V104 VanDerWaalsContact C-N 3.35Å; V104-N106 PolarHBondContact O-N 3.45Å; V104-G107 PolarHBondContact O-N 3.03Å; V104-I108 VanDerWaalsContact CA-O 3.22Å; V104-I108 WeakPolarHBondContact CA-O 3.18Å; V104-I113 HydrophobicContact CG2-CD1 4.15Å
105	K	98.4	Very high	98.5	Very high	176 Å²	176	47.8 Å²	47.8	77%	0.765	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-31.3	175	-73.5	169.3	-175.1	171.9	0	112.5	D101 Q102 G107	D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.45Å; D101-K105 PolarHBondContact O-N 2.88Å; Q102-K105 PolarHBondContact O-N 3Å; K105-G107 PolarHBondContact O-N 2.76Å
106	N	97.6	Very high	98.5	Very high	104 Å²	104	43.4 Å²	43.4	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	2.5	175.2	-66	-21.6	0	0	0	113.4	Q102 E103 V104	Q102-N106 WeakPolarHBondContact O-CB 3.2Å; Q102-N106 PolarHBondContact O-N 3.48Å; Q102-N106 PolarHBondContact O-ND2 3.2Å; E103-N106 CarbonylContact O-C 3.57Å; E103-N106 PolarHBondContact O-N 3.32Å; V104-N106 PolarHBondContact O-N 3.45Å
107	G	98	Very high	98.5	Very high	61 Å²	61	43.4 Å²	43.4	63%	0.629	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.7	6.6	171.6	0	0	0	0	0	115.7	E103 V104 K105 P109	E103-G107 PolarHBondContact O-N 3.29Å; V104-G107 PolarHBondContact O-N 3.03Å; K105-G107 PolarHBondContact O-N 2.76Å; G107-P109 WeakPolarHBondContact O-CD 3.3Å
108	I	98.6	Very high	98.5	Very high	9 Å²	9	43 Å²	43	5%	0.046	24%	0.239	C	C	.	.			trans	-97	105.5	172.9	-59.7	176.4	0	0	0	108.3	A20 A23 E103 V104 R112 I113	A20-I108 HydrophobicContact CB-CD1 4.02Å; A23-I108 HydrophobicContact CB-CD1 4Å; A23-I108 HydrophobicContact CB-CG2 4.34Å; E103-I108 PolarHBondContact O-N 2.79Å; V104-I108 VanDerWaalsContact CA-O 3.22Å; V104-I108 WeakPolarHBondContact CA-O 3.18Å; I108-R112 HydrophobicContact CG2-CB 4.08Å; I108-I113 HydrophobicContact CG2-CD1 4.41Å; I108-I113 HydrophobicContact CG2-CG1 3.86Å
109	P	98.5	Very high	98.5	Very high	50 Å²	50	41.1 Å²	41.1	33%	0.325	22%	0.222	S	C	.	.			trans	-63.5	148.1	-176.8	28.7	-35.4	0	0	0	110.9	G107 H111 R112	G107-P109 WeakPolarHBondContact O-CD 3.3Å; P109-H111 VanDerWaalsContact C-N 3.25Å; P109-H111 VanDerWaalsContact CB-CE1 3.49Å; P109-H111 WeakPolarHBondContact CB-CE1 3Å; P109-H111 PolarHBondContact O-N 3.15Å; P109-H111 VanDerWaalsContact O-N 3.13Å; P109-R112 HydrophobicContact CG-CB 4.13Å; P109-R112 HydrophobicContact CG-CG 3.74Å; P109-R112 WeakPolarHBondContact O-CA 3.5Å; P109-R112 VanDerWaalsContact O-CB 3.32Å; P109-R112 WeakPolarHBondContact O-CB 3.46Å; P109-R112 PolarHBondContact O-N 3.35Å
110	S	98.6	Very high	98.6	Very high	22 Å²	22	39 Å²	39	15%	0.154	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.3	-32	-172.7	46.7	0	0	0	0	114.5	R112 I113 K135	S110-R112 PolarHBondContact O-N 2.74Å; S110-R112 VanDerWaalsContact O-N 3.08Å; S110-I113 WeakPolarHBondContact O-CB 3.42Å; S110-I113 PolarHBondContact O-N 2.89Å; S110-K135 CarbonylContact C-O 3.5Å; S110-K135 VanDerWaalsContact CB-O 3.32Å; S110-K135 WeakPolarHBondContact CB-O 3.24Å; S110-K135 PolarHBondContact OG-O 2.81Å
111	H	98.4	Very high	98.6	Very high	104 Å²	104	39 Å²	39	48%	0.481	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-70.6	-1.6	174.8	69	-94.3	0	0	0	113.6	P109 K135 A137	P109-H111 VanDerWaalsContact C-N 3.25Å; P109-H111 VanDerWaalsContact CB-CE1 3.49Å; P109-H111 WeakPolarHBondContact CB-CE1 3Å; P109-H111 PolarHBondContact O-N 3.15Å; P109-H111 VanDerWaalsContact O-N 3.13Å; H111-K135 WeakPolarHBondContact CA-O 3.32Å; H111-K135 PolarHBondContact N-O 3.44Å; H111-A137 WeakPolarHBondContact O-CB 3.32Å
112	R	98.6	Very high	98.6	Very high	15 Å²	15	35.9 Å²	35.9	6%	0.057	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-110.4	15.6	169.9	-64.6	-75.5	-67.5	177.7	-3.2	112	T21 A22 A23 I108 P109 S110 L226 P227	T21-R112 WeakPolarHBondContact O-CB 3.12Å; T21-R112 PolarHBondContact O-NE 3.23Å; T21-R112 PolarHBondContact OG1-NH2 3.37Å; A22-R112 VanDerWaalsContact CA-O 3.25Å; A22-R112 WeakPolarHBondContact CA-O 3.27Å; A22-R112 HydrophobicContact CB-CB 4.23Å; A22-R112 WeakPolarHBondContact CB-O 3.41Å; A23-R112 PolarHBondContact N-O 2.81Å; I108-R112 HydrophobicContact CG2-CB 4.08Å; P109-R112 HydrophobicContact CG-CB 4.13Å; P109-R112 HydrophobicContact CG-CG 3.74Å; P109-R112 WeakPolarHBondContact O-CA 3.5Å; P109-R112 VanDerWaalsContact O-CB 3.32Å; P109-R112 WeakPolarHBondContact O-CB 3.46Å; P109-R112 PolarHBondContact O-N 3.35Å; S110-R112 PolarHBondContact O-N 2.74Å; S110-R112 VanDerWaalsContact O-N 3.08Å; R112-L226 HydrophobicContact CB-CD2 4.38Å; R112-L226 WeakPolarHBondContact O-CD2 3.3Å; R112-P227 VanDerWaalsContact CZ-O 3.29Å; R112-P227 PolarHBondContact NH1-O 3.15Å; R112-P227 PolarHBondContact NH2-O 3.46Å
113	I	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.2	176.3	-56.9	179.2	0	0	0	108.9	A23 I25 I100 E103 V104 I108 S110 L136 A137	A23-I113 HydrophobicContact CB-CG1 4.38Å; A23-I113 WeakPolarHBondContact O-CA 3.5Å; I25-I113 HydrophobicContact CD1-CG2 4.06Å; I25-I113 HydrophobicContact CG1-CG2 4.32Å; I100-I113 HydrophobicContact CG2-CD1 4.04Å; E103-I113 HydrophobicContact CB-CD1 3.73Å; V104-I113 HydrophobicContact CG2-CD1 4.15Å; I108-I113 HydrophobicContact CG2-CD1 4.41Å; I108-I113 HydrophobicContact CG2-CG1 3.86Å; S110-I113 WeakPolarHBondContact O-CB 3.42Å; S110-I113 PolarHBondContact O-N 2.89Å; I113-L136 HydrophobicContact CB-CD2 4.32Å; I113-A137 WeakPolarHBondContact O-CB 3.29Å; I113-A137 PolarHBondContact O-N 2.86Å
114	L	98.8	Very high	98.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.6	166.2	-75.9	172.4	0	0	0	109	A23 V24 I25 A137 G138 F221 I222 Q225 L226	A23-L114 PolarHBondContact O-N 3.42Å; V24-L114 WeakPolarHBondContact CA-O 3.38Å; V24-L114 HydrophobicContact CG2-CB 4.18Å; V24-L114 HydrophobicContact CG2-CD1 4.4Å; I25-L114 PolarHBondContact N-O 3.25Å; L114-A137 HydrophobicContact CD2-CB 3.77Å; L114-A137 HydrophobicContact CG-CB 3.96Å; L114-G138 VanDerWaalsContact CD2-CA 3.41Å; L114-G138 WeakPolarHBondContact CD2-O 3.45Å; L114-F221 HydrophobicContact CD1-CE1 4.39Å; L114-F221 HydrophobicContact CD2-CE1 3.94Å; L114-I222 HydrophobicContact CD1-CB 4.13Å; L114-I222 HydrophobicContact CD1-CG1 3.81Å; L114-I222 HydrophobicContact CD1-CG2 4.02Å; L114-Q225 HydrophobicContact CD1-CB 4.42Å; L114-Q225 HydrophobicContact CD2-CB 4.34Å; L114-L226 HydrophobicContact CB-CD1 4.31Å; L114-L226 HydrophobicContact CD1-CD1 3.5Å; L114-L226 VanDerWaalsContact CD1-CD1 3.5Å; L114-L226 HydrophobicContact CD1-CG 3.84Å; L114-L226 HydrophobicContact CG-CD1 3.74Å; L114-L226 HydrophobicContact CG-CD2 4.47Å; L114-L226 HydrophobicContact CG-CG 4.04Å
115	L	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	153	161.7	-66.9	-172.9	0	0	0	109.6	I25 V96 I100 T128 A129 L136 G138 V139 V140	I25-L115 HydrophobicContact CB-CD2 3.82Å; I25-L115 HydrophobicContact CD1-CD2 4.24Å; I25-L115 HydrophobicContact CG2-CD2 4.32Å; I25-L115 CarbonylContact O-C 3.43Å; I25-L115 WeakPolarHBondContact O-CA 3.47Å; V96-L115 HydrophobicContact CG1-CD1 4.2Å; V96-L115 HydrophobicContact CG1-CD2 3.98Å; I100-L115 HydrophobicContact CD1-CD1 4.12Å; I100-L115 HydrophobicContact CD1-CD2 4.04Å; I100-L115 HydrophobicContact CD1-CG 4.36Å; I100-L115 HydrophobicContact CG1-CD2 4.15Å; L115-T128 HydrophobicContact CD1-CG2 3.86Å; L115-A129 HydrophobicContact CD1-CB 4.28Å; L115-L136 HydrophobicContact CD1-CD1 3.9Å; L115-L136 HydrophobicContact CG-CD1 4.01Å; L115-G138 PolarHBondContact N-O 3.12Å; L115-G138 VanDerWaalsContact N-O 3.14Å; L115-V139 CarbonylContact O-C 3.41Å; L115-V139 WeakPolarHBondContact O-CA 3.48Å; L115-V140 PolarHBondContact O-N 2.81Å
116	G	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.3	169.1	0	0	0	0	0	112.1	I25 F26 L27 S125 V140	I25-G116 PolarHBondContact O-N 2.96Å; F26-G116 CarbonylContact C-O 3.49Å; F26-G116 WeakPolarHBondContact CA-O 3.31Å; L27-G116 PolarHBondContact N-O 3.49Å; G116-S125 VanDerWaalsContact C-OG 3.25Å; G116-S125 PolarHBondContact O-OG 2.92Å; G116-V140 CarbonylContact C-O 3.56Å; G116-V140 WeakPolarHBondContact CA-O 3.33Å
117	G	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	169.4	171.5	0	0	0	0	0	113.2	F26 L27 G122 V140 L142	F26-G117 VanDerWaalsContact CZ-C 3.41Å; F26-G117 VanDerWaalsContact CZ-CA 3.45Å; L27-G117 CarbonylContact O-C 3.57Å; L27-G117 WeakPolarHBondContact O-CA 3.11Å; G117-G122 VanDerWaalsContact C-N 3.27Å; G117-G122 VanDerWaalsContact O-CA 3.29Å; G117-G122 WeakPolarHBondContact O-CA 3Å; G117-V140 PolarHBondContact N-O 3.29Å; G117-L142 PolarHBondContact O-N 3.23Å
118	F	98.9	Very high	98.8	Very high	21 Å²	21	11.8 Å²	11.8	9%	0.092	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.5	178.2	177	-96.1	0	0	0	110.7	F26 L27 G29 W37 Q120 G121 G122 L142 H208	F26-F118 HydrophobicContact CE1-CB 4.2Å; F26-F118 HydrophobicContact CZ-CB 4.23Å; L27-F118 PolarHBondContact O-N 3.49Å; G29-F118 WeakPolarHBondContact CA-O 3.45Å; G29-F118 PolarHBondContact N-O 3.09Å; W37-F118 HydrophobicContact CH2-CB 3.91Å; W37-F118 AromaticContact CH2-CD2 3.96Å; W37-F118 HydrophobicContact CH2-CD2 3.96Å; W37-F118 HydrophobicContact CH2-CG 4.12Å; W37-F118 HydrophobicContact CZ2-CB 3.28Å; W37-F118 HydrophobicContact CZ2-CD1 4.13Å; W37-F118 AromaticContact CZ2-CD2 3.69Å; W37-F118 HydrophobicContact CZ2-CD2 3.69Å; W37-F118 AromaticContact CZ2-CG 3.43Å; W37-F118 HydrophobicContact CZ2-CG 3.43Å; W37-F118 VanDerWaalsContact CZ2-CG 3.43Å; F118-Q120 PolarHBondContact O-N 3.01Å; F118-G121 PolarHBondContact O-N 3.2Å; F118-G122 PolarHBondContact O-N 2.98Å; F118-L142 CarbonylContact C-O 3.44Å; F118-L142 WeakPolarHBondContact CA-O 3.34Å; F118-L142 HydrophobicContact CB-CB 4.45Å; F118-L142 HydrophobicContact CD2-CB 3.96Å; F118-H208 AromaticContact CE1-CD2 3.76Å; F118-H208 AromaticContact CE1-NE2 3.45Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.39Å; F118-H208 AromaticContact CZ-CD2 3.63Å; F118-H208 AromaticContact CZ-CE1 3.83Å; F118-H208 AromaticContact CZ-CG 3.98Å; F118-H208 AromaticContact CZ-NE2 3.57Å
119	S	98.4	Very high	98.8	Very high	13 Å²	13	11.3 Å²	11.3	9%	0.091	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-122	176.6	-169.8	0	0	0	0	111.3	G121 G122 A123 L142 S143 C144 H208	S119-G121 PolarHBondContact O-N 3.19Å; S119-G122 WeakPolarHBondContact O-CA 3.36Å; S119-G122 PolarHBondContact O-N 3.23Å; S119-A123 PolarHBondContact O-N 3.35Å; S119-L142 PolarHBondContact N-O 2.9Å; S119-S143 WeakPolarHBondContact CA-O 3.37Å; S119-C144 WeakPolarHBondContact O-CB 3.3Å; S119-H208 VanDerWaalsContact CB-NE2 3.34Å; S119-H208 WeakPolarHBondContact CB-NE2 3.39Å; S119-H208 PolarHBondContact OG-CE1 3.15Å; S119-H208 PolarHBondContact OG-NE2 2.88Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å
120	Q	98.4	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-52.2	-39.9	175.2	-168.6	-171.8	52.7	0	0	113.6	S71 W72 F73 I75 F118 A123 L124 W145	S71-Q120 PolarHBondContact OG-NE2 2.65Å; S71-Q120 PolarHBondContact OG-OE1 2.91Å; W72-Q120 HydrophobicContact CB-CG 4.49Å; F73-Q120 HydrophobicContact CD1-CG 4.25Å; F73-Q120 HydrophobicContact CD2-CG 4.43Å; F73-Q120 HydrophobicContact CE1-CG 3.59Å; F73-Q120 HydrophobicContact CE2-CG 3.81Å; F73-Q120 HydrophobicContact CZ-CG 3.35Å; F73-Q120 PolarHBondContact O-NE2 2.91Å; I75-Q120 HydrophobicContact CD1-CB 4.39Å; I75-Q120 HydrophobicContact CD1-CG 4.17Å; I75-Q120 VanDerWaalsContact CD1-NE2 3.33Å; F118-Q120 PolarHBondContact O-N 3.01Å; Q120-A123 WeakPolarHBondContact O-CB 3.49Å; Q120-A123 PolarHBondContact O-N 2.92Å; Q120-L124 PolarHBondContact O-N 2.96Å; Q120-W145 HydrophobicContact CB-CH2 4.44Å
121	G	98.9	Very high	98.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.9	-35.7	177.1	0	0	0	0	0	112.6	L27 H28 F118 S119 L124 S125	L27-G121 WeakPolarHBondContact O-CA 3.2Å; H28-G121 WeakPolarHBondContact O-CA 3.36Å; H28-G121 PolarHBondContact O-N 2.92Å; F118-G121 PolarHBondContact O-N 3.2Å; S119-G121 PolarHBondContact O-N 3.19Å; G121-L124 PolarHBondContact O-N 2.91Å; G121-S125 WeakPolarHBondContact O-CB 3.29Å; G121-S125 PolarHBondContact O-N 2.86Å; G121-S125 PolarHBondContact O-OG 3Å
122	G	98.9	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.2	-42.3	173.6	0	0	0	0	0	111.7	G117 F118 S119 S125 L126	G117-G122 VanDerWaalsContact C-N 3.27Å; G117-G122 VanDerWaalsContact O-CA 3.29Å; G117-G122 WeakPolarHBondContact O-CA 3Å; F118-G122 PolarHBondContact O-N 2.98Å; S119-G122 WeakPolarHBondContact O-CA 3.36Å; S119-G122 PolarHBondContact O-N 3.23Å; G122-S125 PolarHBondContact O-N 3.24Å; G122-L126 WeakPolarHBondContact O-CG 3.21Å; G122-L126 PolarHBondContact O-N 3.37Å
123	A	98.8	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.6	-46.4	174.3	0	0	0	0	0	111.9	S119 Q120 S125 L126 Y127 W145 P147	S119-A123 PolarHBondContact O-N 3.35Å; Q120-A123 WeakPolarHBondContact O-CB 3.49Å; Q120-A123 PolarHBondContact O-N 2.92Å; A123-S125 PolarHBondContact O-N 3Å; A123-L126 PolarHBondContact O-N 3.26Å; A123-Y127 PolarHBondContact O-N 3.17Å; A123-Y127 VanDerWaalsContact O-N 3.1Å; A123-W145 WeakPolarHBondContact CA-O 3.36Å; A123-W145 HydrophobicContact CB-CD2 4Å; A123-W145 HydrophobicContact CB-CE3 4.3Å; A123-W145 HydrophobicContact CB-CG 4.44Å; A123-W145 HydrophobicContact CB-CH2 4.47Å; A123-W145 HydrophobicContact CB-CZ2 4.19Å; A123-W145 WeakPolarHBondContact CB-O 3.32Å; A123-P147 HydrophobicContact CB-CG 4.19Å; A123-P147 WeakPolarHBondContact O-CD 3.24Å; A123-P147 WeakPolarHBondContact O-CG 3.22Å
124	L	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.8	-41.4	175.8	-174.2	52.6	0	0	0	112.3	L27 W72 F73 A92 V96 Q120 G121 Y127 T128	L27-L124 HydrophobicContact CD1-CB 3.92Å; L27-L124 HydrophobicContact CD1-CD2 3.8Å; L27-L124 HydrophobicContact CD1-CG 3.8Å; W72-L124 HydrophobicContact CB-CD2 3.75Å; W72-L124 HydrophobicContact CD2-CD2 4Å; W72-L124 HydrophobicContact CE3-CD2 4.1Å; W72-L124 HydrophobicContact CG-CD2 3.86Å; F73-L124 HydrophobicContact CE1-CB 4.13Å; A92-L124 HydrophobicContact CB-CD1 3.9Å; A92-L124 HydrophobicContact CB-CD2 3.63Å; A92-L124 HydrophobicContact CB-CG 4.47Å; V96-L124 HydrophobicContact CG2-CD2 3.99Å; V96-L124 HydrophobicContact CG2-CG 4.3Å; Q120-L124 PolarHBondContact O-N 2.96Å; G121-L124 PolarHBondContact O-N 2.91Å; L124-Y127 PolarHBondContact O-N 3.08Å; L124-T128 VanDerWaalsContact O-CB 3.27Å; L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 PolarHBondContact O-N 2.66Å; L124-T128 PolarHBondContact O-OG1 2.84Å
125	S	98.9	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-42.2	179.1	-78.8	0	0	0	0	112.5	L27 G116 G121 G122 A123 A129	L27-S125 WeakPolarHBondContact CD1-OG 3.36Å; G116-S125 VanDerWaalsContact C-OG 3.25Å; G116-S125 PolarHBondContact O-OG 2.92Å; G121-S125 WeakPolarHBondContact O-CB 3.29Å; G121-S125 PolarHBondContact O-N 2.86Å; G121-S125 PolarHBondContact O-OG 3Å; G122-S125 PolarHBondContact O-N 3.24Å; A123-S125 PolarHBondContact O-N 3Å; S125-A129 WeakPolarHBondContact O-CB 2.91Å; S125-A129 PolarHBondContact O-N 2.84Å
126	L	98.9	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-51.3	173.3	-72.9	171.8	0	0	0	111.7	G122 A123 T128 A129 L130 V139 A141 L146 V166 T185 M189	G122-L126 WeakPolarHBondContact O-CG 3.21Å; G122-L126 PolarHBondContact O-N 3.37Å; A123-L126 PolarHBondContact O-N 3.26Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 2.99Å; L126-A129 PolarHBondContact O-N 3.38Å; L126-L130 WeakPolarHBondContact O-CB 3.38Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.41Å; L126-V139 HydrophobicContact CD2-CG1 3.96Å; L126-V139 HydrophobicContact CG-CG1 4.42Å; L126-A141 HydrophobicContact CD1-CB 3.97Å; L126-A141 HydrophobicContact CD2-CB 3.85Å; L126-A141 HydrophobicContact CG-CB 3.86Å; L126-L146 HydrophobicContact CB-CD1 4.15Å; L126-V166 HydrophobicContact CD2-CG1 4.26Å; L126-T185 HydrophobicContact CD1-CG2 3.75Å; L126-M189 HydrophobicContact CD2-CE 3.88Å; L126-M189 HydrophobicContact CD2-CG 4.45Å; L126-M189 HydrophobicContact CD2-SD 4.06Å
127	Y	98.9	Very high	98.4	Very high	12 Å²	12	18 Å²	18	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-179.9	-177.1	-92.9	0	0	0	112	I89 K90 A123 L124 L130 T131 P147 L148 F152	I89-Y127 HydrophobicContact CG2-CD1 3.82Å; I89-Y127 HydrophobicContact CG2-CD2 4.25Å; I89-Y127 HydrophobicContact CG2-CE1 4Å; I89-Y127 HydrophobicContact CG2-CE2 4.42Å; I89-Y127 HydrophobicContact CG2-CG 3.95Å; K90-Y127 HydrophobicContact CG-CE1 4.39Å; K90-Y127 WeakPolarHBondContact CG-OH 3.39Å; A123-Y127 PolarHBondContact O-N 3.17Å; A123-Y127 VanDerWaalsContact O-N 3.1Å; L124-Y127 PolarHBondContact O-N 3.08Å; Y127-L130 PolarHBondContact O-N 2.91Å; Y127-T131 HydrophobicContact CD1-CG2 4.42Å; Y127-T131 HydrophobicContact CD2-CG2 4.41Å; Y127-T131 HydrophobicContact CE1-CG2 4.09Å; Y127-T131 HydrophobicContact CE2-CG2 4.06Å; Y127-T131 WeakPolarHBondContact O-CB 3.35Å; Y127-T131 WeakPolarHBondContact O-CG2 3.42Å; Y127-T131 PolarHBondContact O-N 2.99Å; Y127-T131 PolarHBondContact O-OG1 3.4Å; Y127-P147 HydrophobicContact CD2-CG 4.31Å; Y127-P147 HydrophobicContact CG-CG 4.3Å; Y127-L148 HydrophobicContact CD2-CD1 4.48Å; Y127-L148 HydrophobicContact CE2-CB 4.23Å; Y127-L148 HydrophobicContact CE2-CD1 3.73Å; Y127-L148 HydrophobicContact CE2-CG 4.43Å; Y127-F152 AromaticContact CD2-CE2 3.93Å; Y127-F152 HydrophobicContact CD2-CE2 3.93Å; Y127-F152 AromaticContact CD2-CZ 3.77Å; Y127-F152 HydrophobicContact CD2-CZ 3.77Å; Y127-F152 HydrophobicContact CE2-CE2 4.12Å; Y127-F152 AromaticContact CE2-CZ 3.97Å; Y127-F152 HydrophobicContact CE2-CZ 3.97Å
128	T	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-47.3	-179.9	-55.5	0	0	0	0	110.9	S93 V96 K97 L115 L124 L126 L130 T131 S132	S93-T128 WeakPolarHBondContact OG-CA 3.41Å; S93-T128 PolarHBondContact OG-OG1 3.36Å; V96-T128 HydrophobicContact CB-CG2 3.95Å; V96-T128 HydrophobicContact CG1-CG2 3.82Å; K97-T128 HydrophobicContact CG-CG2 3.85Å; L115-T128 HydrophobicContact CD1-CG2 3.86Å; L124-T128 VanDerWaalsContact O-CB 3.27Å; L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 PolarHBondContact O-N 2.66Å; L124-T128 PolarHBondContact O-OG1 2.84Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 2.99Å; T128-L130 PolarHBondContact O-N 3.48Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 PolarHBondContact O-OG1 3.47Å; T128-S132 VanDerWaalsContact O-CB 3.24Å; T128-S132 WeakPolarHBondContact O-CB 3.36Å; T128-S132 PolarHBondContact O-N 2.69Å
129	A	98.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-43.8	179.4	0	0	0	0	0	112.4	L115 S125 L126 T131 L136 V139 N161 M164	L115-A129 HydrophobicContact CD1-CB 4.28Å; S125-A129 WeakPolarHBondContact O-CB 2.91Å; S125-A129 PolarHBondContact O-N 2.84Å; L126-A129 PolarHBondContact O-N 3.38Å; A129-T131 VanDerWaalsContact C-N 3.29Å; A129-T131 PolarHBondContact O-N 3.48Å; A129-L136 HydrophobicContact CB-CD1 3.87Å; A129-V139 HydrophobicContact CB-CG2 3.34Å; A129-N161 PolarHBondContact O-ND2 2.92Å; A129-M164 HydrophobicContact CB-CE 4.05Å; A129-M164 HydrophobicContact CB-SD 3.81Å
130	L	98.6	Very high	98.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-66.8	-27.5	178.6	-74.9	171.7	0	0	0	113.6	L126 Y127 T128 L146 F152 A156 S159 M164 M189 L192 I193	L126-L130 WeakPolarHBondContact O-CB 3.38Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.41Å; Y127-L130 PolarHBondContact O-N 2.91Å; T128-L130 PolarHBondContact O-N 3.48Å; L130-L146 HydrophobicContact CD1-CD1 3.54Å; L130-L146 HydrophobicContact CD1-CD2 4.31Å; L130-F152 HydrophobicContact CB-CE1 3.74Å; L130-F152 HydrophobicContact CB-CZ 4.16Å; L130-F152 HydrophobicContact CD1-CD1 4.37Å; L130-F152 HydrophobicContact CD1-CE1 3.88Å; L130-F152 HydrophobicContact CD1-CZ 4.03Å; L130-F152 HydrophobicContact CG-CE1 4.43Å; L130-A156 HydrophobicContact CB-CB 4.4Å; L130-A156 WeakPolarHBondContact O-CB 3.34Å; L130-S159 WeakPolarHBondContact O-CB 3.29Å; L130-S159 PolarHBondContact O-OG 3.3Å; L130-M164 HydrophobicContact CD2-CE 3.92Å; L130-M164 HydrophobicContact CG-CE 4.19Å; L130-M189 HydrophobicContact CD1-CE 4.14Å; L130-M189 HydrophobicContact CD1-SD 3.71Å; L130-M189 HydrophobicContact CD2-CE 4.01Å; L130-M189 HydrophobicContact CD2-SD 4.45Å; L130-M189 HydrophobicContact CG-CE 4.15Å; L130-M189 HydrophobicContact CG-SD 4.37Å; L130-L192 HydrophobicContact CD1-CD1 4.05Å; L130-L192 HydrophobicContact CD2-CB 4.43Å; L130-I193 HydrophobicContact CD2-CG2 3.85Å
131	T	98.4	Very high	98.5	Very high	18 Å²	18	16.5 Å²	16.5	11%	0.11	8%	0.078	C	C	.	.	H	α-helix	trans	-104.2	-5.5	-177.7	61.7	0	0	0	0	113.6	K97 Y127 T128 A129 F152 A155	K97-T131 PolarHBondContact NZ-O 3.07Å; K97-T131 PolarHBondContact NZ-OG1 3.21Å; Y127-T131 HydrophobicContact CD1-CG2 4.42Å; Y127-T131 HydrophobicContact CD2-CG2 4.41Å; Y127-T131 HydrophobicContact CE1-CG2 4.09Å; Y127-T131 HydrophobicContact CE2-CG2 4.06Å; Y127-T131 WeakPolarHBondContact O-CB 3.35Å; Y127-T131 WeakPolarHBondContact O-CG2 3.42Å; Y127-T131 PolarHBondContact O-N 2.99Å; Y127-T131 PolarHBondContact O-OG1 3.4Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 PolarHBondContact O-OG1 3.47Å; A129-T131 VanDerWaalsContact C-N 3.29Å; A129-T131 PolarHBondContact O-N 3.48Å; T131-F152 HydrophobicContact CG2-CE1 4.15Å; T131-F152 HydrophobicContact CG2-CZ 4.05Å; T131-A155 HydrophobicContact CG2-CB 4.34Å
132	S	97.6	Very high	98.5	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	8%	0.078	C	C	.	.			trans	-68.1	146.2	175.4	-175	0	0	0	0	111.3	T128 Q134 S159 P160	T128-S132 VanDerWaalsContact O-CB 3.24Å; T128-S132 WeakPolarHBondContact O-CB 3.36Å; T128-S132 PolarHBondContact O-N 2.69Å; S132-Q134 PolarHBondContact OG-N 2.84Å; S132-Q134 PolarHBondContact OG-O 3.48Å; S132-S159 PolarHBondContact O-OG 2.82Å; S132-P160 WeakPolarHBondContact O-CD 3.5Å
133	Q	96.4	Very high	98.5	Very high	128 Å²	128	16.5 Å²	16.5	60%	0.598	8%	0.078	S	C	*	.	S	Bend	trans	-93.5	-2.3	169.6	-63.3	-61.4	-71.8	0	0	112.2	N158 P160	Q133-N158 PolarHBondContact NE2-O 3.17Å; Q133-N158 PolarHBondContact OE1-O 2.86Å; Q133-N158 VanDerWaalsContact OE1-O 3.12Å; Q133-P160 WeakPolarHBondContact O-CG 3.48Å
134	Q	96.6	Very high	98.4	Very high	39 Å²	39	16.5 Å²	16.5	18%	0.182	8%	0.078	C	C	.	.	S	Bend	trans	-94.5	135.2	173	-63.6	-175	74.5	0	0	109.9	D101 S132 L136 N161	D101-Q134 PolarHBondContact OD1-NE2 3.25Å; S132-Q134 PolarHBondContact OG-N 2.84Å; S132-Q134 PolarHBondContact OG-O 3.48Å; Q134-L136 PolarHBondContact O-N 2.96Å; Q134-N161 PolarHBondContact O-ND2 2.83Å; Q134-N161 PolarHBondContact O-OD1 2.82Å
135	K	98	Very high	98.4	Very high	126 Å²	126	18.3 Å²	18.3	55%	0.548	9%	0.085	S	C	.	.			trans	-70.4	122	173.3	-173	177.2	-177.3	177.5	0	109.1	S110 H111 P160 N161	S110-K135 CarbonylContact C-O 3.5Å; S110-K135 VanDerWaalsContact CB-O 3.32Å; S110-K135 WeakPolarHBondContact CB-O 3.24Å; S110-K135 PolarHBondContact OG-O 2.81Å; H111-K135 WeakPolarHBondContact CA-O 3.32Å; H111-K135 PolarHBondContact N-O 3.44Å; K135-P160 HydrophobicContact CB-CB 4.48Å; K135-P160 HydrophobicContact CB-CG 4.38Å; K135-N161 WeakPolarHBondContact CA-OD1 3.32Å
136	L	98.6	Very high	98.4	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	9%	0.086	C	C	.	.			trans	-104.8	158.8	178.5	-62.4	174.7	0	0	0	110.8	I100 I113 L115 A129 Q134 G138 N161	I100-L136 HydrophobicContact CD1-CD1 4.32Å; I100-L136 HydrophobicContact CD1-CD2 4.09Å; I100-L136 HydrophobicContact CG2-CD2 4.15Å; I113-L136 HydrophobicContact CB-CD2 4.32Å; L115-L136 HydrophobicContact CD1-CD1 3.9Å; L115-L136 HydrophobicContact CG-CD1 4.01Å; A129-L136 HydrophobicContact CB-CD1 3.87Å; Q134-L136 PolarHBondContact O-N 2.96Å; L136-G138 PolarHBondContact O-N 3.39Å; L136-N161 PolarHBondContact N-OD1 2.98Å
137	A	98.4	Very high	98.3	Very high	12 Å²	12	18.4 Å²	18.4	10%	0.099	9%	0.086	C	C	.	.	S	Bend	trans	-67.8	-29.9	175.1	0	0	0	0	0	111.8	H111 I113 L114 L226	H111-A137 WeakPolarHBondContact O-CB 3.32Å; I113-A137 WeakPolarHBondContact O-CB 3.29Å; I113-A137 PolarHBondContact O-N 2.86Å; L114-A137 HydrophobicContact CD2-CB 3.77Å; L114-A137 HydrophobicContact CG-CB 3.96Å; A137-L226 HydrophobicContact CB-CD2 3.68Å
138	G	98.6	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-173.5	-172.8	0	0	0	0	0	114.6	L114 L115 L136 H165	L114-G138 VanDerWaalsContact CD2-CA 3.41Å; L114-G138 WeakPolarHBondContact CD2-O 3.45Å; L115-G138 PolarHBondContact N-O 3.12Å; L115-G138 VanDerWaalsContact N-O 3.14Å; L136-G138 PolarHBondContact O-N 3.39Å; G138-H165 CarbonylContact C-O 3.51Å; G138-H165 WeakPolarHBondContact CA-O 3.07Å
139	V	98.9	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.7	-178.9	-175.6	0	0	0	0	111.7	L115 L126 A129 A141 M164 H165 V166 L167	L115-V139 CarbonylContact O-C 3.41Å; L115-V139 WeakPolarHBondContact O-CA 3.48Å; L126-V139 HydrophobicContact CD2-CG1 3.96Å; L126-V139 HydrophobicContact CG-CG1 4.42Å; A129-V139 HydrophobicContact CB-CG2 3.34Å; V139-A141 HydrophobicContact CG1-CB 4.23Å; V139-M164 HydrophobicContact CG2-CE 4.18Å; V139-M164 HydrophobicContact CG2-SD 3.89Å; V139-H165 PolarHBondContact N-O 3.45Å; V139-V166 HydrophobicContact CB-CG1 4.49Å; V139-V166 HydrophobicContact CB-CG2 4.32Å; V139-V166 WeakPolarHBondContact O-CA 3.38Å; V139-L167 PolarHBondContact O-N 3.47Å
140	V	98.9	Very high	97.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.9	164.7	176.4	0	0	0	0	109.3	L115 G116 G117 L142 L167 I218 F221	L115-V140 PolarHBondContact O-N 2.81Å; G116-V140 CarbonylContact C-O 3.56Å; G116-V140 WeakPolarHBondContact CA-O 3.33Å; G117-V140 PolarHBondContact N-O 3.29Å; V140-L142 HydrophobicContact CG1-CD2 3.58Å; V140-L142 HydrophobicContact CG1-CG 4.13Å; V140-L167 CarbonylContact C-O 3.38Å; V140-L167 WeakPolarHBondContact CA-O 3.44Å; V140-I218 HydrophobicContact CG1-CD1 4.21Å; V140-I218 HydrophobicContact CG1-CG1 3.84Å; V140-I218 HydrophobicContact CG1-CG2 4.2Å; V140-F221 HydrophobicContact CG2-CD1 3.53Å; V140-F221 HydrophobicContact CG2-CE1 3.7Å
141	A	98.9	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	105	-171.7	0	0	0	0	0	110.9	L126 V139 L167 Q168 C169	L126-A141 HydrophobicContact CD1-CB 3.97Å; L126-A141 HydrophobicContact CD2-CB 3.85Å; L126-A141 HydrophobicContact CG-CB 3.86Å; V139-A141 HydrophobicContact CG1-CB 4.23Å; A141-L167 PolarHBondContact N-O 3.17Å; A141-Q168 HydrophobicContact CB-CB 4.4Å; A141-Q168 HydrophobicContact CB-CG 4.21Å; A141-Q168 CarbonylContact O-C 3.52Å; A141-Q168 VanDerWaalsContact O-CA 3.26Å; A141-Q168 WeakPolarHBondContact O-CA 3.38Å; A141-Q168 WeakPolarHBondContact O-CG 3.4Å; A141-C169 PolarHBondContact O-N 3.16Å
142	L	98.9	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.2	-172.9	-45.7	-175.6	0	0	0	111.3	F26 W37 G117 F118 S119 V140 C144 C169 E214 I218	F26-L142 HydrophobicContact CE2-CD1 4.02Å; F26-L142 HydrophobicContact CE2-CG 4.41Å; F26-L142 HydrophobicContact CZ-CD1 3.7Å; F26-L142 HydrophobicContact CZ-CG 4.28Å; W37-L142 HydrophobicContact CH2-CD1 3.66Å; W37-L142 HydrophobicContact CZ3-CD1 3.76Å; G117-L142 PolarHBondContact O-N 3.23Å; F118-L142 CarbonylContact C-O 3.44Å; F118-L142 WeakPolarHBondContact CA-O 3.34Å; F118-L142 HydrophobicContact CB-CB 4.45Å; F118-L142 HydrophobicContact CD2-CB 3.96Å; S119-L142 PolarHBondContact N-O 2.9Å; V140-L142 HydrophobicContact CG1-CD2 3.58Å; V140-L142 HydrophobicContact CG1-CG 4.13Å; L142-C144 VanDerWaalsContact C-N 3.29Å; L142-C144 WeakPolarHBondContact O-CB 3.46Å; L142-C144 PolarHBondContact O-N 3.46Å; L142-C144 VanDerWaalsContact O-N 3.15Å; L142-C169 HydrophobicContact CD2-CB 3.64Å; L142-E214 HydrophobicContact CD2-CG 4.47Å; L142-I218 HydrophobicContact CD1-CD1 3.65Å; L142-I218 HydrophobicContact CD2-CD1 3.73Å; L142-I218 HydrophobicContact CD2-CG1 4.18Å; L142-I218 HydrophobicContact CG-CD1 4.32Å
143	S	98.7	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	44.3	50.1	172.5	-59.1	0	0	0	0	113.5	S119 C169	S119-S143 WeakPolarHBondContact CA-O 3.37Å; S143-C169 PolarHBondContact N-O 3.39Å
144	C	98.5	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.			trans	-136.6	-173.8	-169.2	69.3	0	0	0	0	112.9	S119 L142	S119-C144 WeakPolarHBondContact O-CB 3.3Å; L142-C144 VanDerWaalsContact C-N 3.29Å; L142-C144 WeakPolarHBondContact O-CB 3.46Å; L142-C144 PolarHBondContact O-N 3.46Å; L142-C144 VanDerWaalsContact O-N 3.15Å
145	W	98.1	Very high	97.9	Very high	38 Å²	38	36.4 Å²	36.4	14%	0.144	18%	0.18	C	C	.	.			trans	-134.7	161.3	178.4	67.9	101.7	0	0	0	111.1	F73 E84 Q120 A123 P147 V177 T185	F73-W145 HydrophobicContact CE2-CZ2 4.48Å; F73-W145 HydrophobicContact CZ-CZ2 4.48Å; E84-W145 PolarHBondContact OE1-NE1 3.37Å; E84-W145 VanDerWaalsContact OE1-NE1 3.15Å; Q120-W145 HydrophobicContact CB-CH2 4.44Å; A123-W145 WeakPolarHBondContact CA-O 3.36Å; A123-W145 HydrophobicContact CB-CD2 4Å; A123-W145 HydrophobicContact CB-CE3 4.3Å; A123-W145 HydrophobicContact CB-CG 4.44Å; A123-W145 HydrophobicContact CB-CH2 4.47Å; A123-W145 HydrophobicContact CB-CZ2 4.19Å; A123-W145 WeakPolarHBondContact CB-O 3.32Å; W145-P147 WeakPolarHBondContact O-CD 3.34Å; W145-V177 HydrophobicContact CE3-CG1 4.25Å; W145-V177 HydrophobicContact CE3-CG2 4.23Å; W145-V177 HydrophobicContact CZ3-CG2 4.09Å; W145-T185 VanDerWaalsContact CA-OG1 3.32Å; W145-T185 WeakPolarHBondContact CA-OG1 3.22Å
146	L	98.1	Very high	97.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.155	C	C	.	.			trans	-81.5	112.9	166.3	175.8	66.9	0	0	0	109.5	L126 L130 R149 F152 T185 K188 L192	L126-L146 HydrophobicContact CB-CD1 4.15Å; L130-L146 HydrophobicContact CD1-CD1 3.54Å; L130-L146 HydrophobicContact CD1-CD2 4.31Å; L146-R149 HydrophobicContact CD2-CB 4.44Å; L146-F152 HydrophobicContact CD1-CE2 4Å; L146-F152 HydrophobicContact CD1-CZ 4.33Å; L146-F152 HydrophobicContact CD2-CD2 4.06Å; L146-F152 HydrophobicContact CD2-CE2 4.31Å; L146-F152 HydrophobicContact CG-CD2 4.45Å; L146-F152 HydrophobicContact CG-CE2 4.28Å; L146-T185 HydrophobicContact CB-CG2 3.85Å; L146-T185 PolarHBondContact N-OG1 2.89Å; L146-K188 HydrophobicContact CD2-CB 4.45Å; L146-K188 HydrophobicContact CD2-CG 3.66Å; L146-L192 HydrophobicContact CD2-CD1 3.95Å
147	P	97.8	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	156.4	179	34	-35.6	0	0	0	110.6	E84 I89 A123 Y127 W145 R149	E84-P147 WeakPolarHBondContact OE1-CA 3.36Å; E84-P147 WeakPolarHBondContact OE1-CB 3.45Å; I89-P147 HydrophobicContact CD1-CB 4.03Å; I89-P147 HydrophobicContact CG2-CG 4.3Å; A123-P147 HydrophobicContact CB-CG 4.19Å; A123-P147 WeakPolarHBondContact O-CD 3.24Å; A123-P147 WeakPolarHBondContact O-CG 3.22Å; Y127-P147 HydrophobicContact CD2-CG 4.31Å; Y127-P147 HydrophobicContact CG-CG 4.3Å; W145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-R149 PolarHBondContact O-N 3.02Å; P147-R149 VanDerWaalsContact O-N 3.15Å
148	L	97.3	Very high	97.1	Very high	19 Å²	19	39 Å²	39	10%	0.099	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	33.5	-177.7	-52.2	176.4	0	0	0	112.2	E84 E86 I89 Y127 K150 S151	E84-L148 HydrophobicContact CB-CD2 3.93Å; E84-L148 PolarHBondContact OE1-N 3.4Å; E84-L148 VanDerWaalsContact OE2-CA 3.32Å; E84-L148 WeakPolarHBondContact OE2-CA 3.35Å; E84-L148 PolarHBondContact OE2-N 3.01Å; E86-L148 HydrophobicContact CB-CD1 4.21Å; E86-L148 HydrophobicContact CB-CD2 3.84Å; E86-L148 HydrophobicContact CG-CD1 3.82Å; E86-L148 HydrophobicContact CG-CD2 4.19Å; I89-L148 HydrophobicContact CB-CD1 4.33Å; I89-L148 HydrophobicContact CD1-CD1 4.38Å; I89-L148 HydrophobicContact CD1-CD2 4.16Å; I89-L148 HydrophobicContact CD1-CG 4.05Å; I89-L148 HydrophobicContact CG2-CD1 4.04Å; Y127-L148 HydrophobicContact CD2-CD1 4.48Å; Y127-L148 HydrophobicContact CE2-CB 4.23Å; Y127-L148 HydrophobicContact CE2-CD1 3.73Å; Y127-L148 HydrophobicContact CE2-CG 4.43Å; L148-K150 PolarHBondContact O-N 2.72Å; L148-S151 PolarHBondContact O-N 3.49Å; L148-S151 PolarHBondContact O-OG 3.47Å
149	R	95.4	Very high	96.9	Very high	85 Å²	85	39.5 Å²	39.5	32%	0.321	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-50.2	-29.5	-172.3	67.2	-174.8	-172.6	-88.5	2.6	114.6	P80 L146 P147 S151 F152	P80-R149 PolarHBondContact O-NH1 3.35Å; P80-R149 PolarHBondContact O-NH2 2.92Å; L146-R149 HydrophobicContact CD2-CB 4.44Å; P147-R149 PolarHBondContact O-N 3.02Å; P147-R149 VanDerWaalsContact O-N 3.15Å; R149-S151 VanDerWaalsContact C-N 3.34Å; R149-F152 PolarHBondContact O-N 3.05Å
150	K	95.6	Very high	96.8	Very high	180 Å²	180	42.2 Å²	42.2	78%	0.783	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-71.6	-22.4	179.2	-65.4	-179.7	-178	172.4	0	113.4	L148 F152	L148-K150 PolarHBondContact O-N 2.72Å; K150-F152 PolarHBondContact O-N 3.22Å
151	S	97.1	Very high	96.7	Very high	41 Å²	41	42.1 Å²	42.1	29%	0.287	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-77.8	-5.7	176.3	71.9	0	0	0	0	113.4	L148 R149 Q154 A155	L148-S151 PolarHBondContact O-N 3.49Å; L148-S151 PolarHBondContact O-OG 3.47Å; R149-S151 VanDerWaalsContact C-N 3.34Å; S151-Q154 PolarHBondContact O-N 3.25Å; S151-A155 WeakPolarHBondContact O-CB 3.42Å; S151-A155 PolarHBondContact O-N 2.94Å
152	F	97.6	Very high	96.6	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.022	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	135.8	179.1	-67.1	-85	0	0	0	111.2	Y127 L130 T131 L146 R149 K150 A155 A156 K188 L192	Y127-F152 AromaticContact CD2-CE2 3.93Å; Y127-F152 HydrophobicContact CD2-CE2 3.93Å; Y127-F152 AromaticContact CD2-CZ 3.77Å; Y127-F152 HydrophobicContact CD2-CZ 3.77Å; Y127-F152 HydrophobicContact CE2-CE2 4.12Å; Y127-F152 AromaticContact CE2-CZ 3.97Å; Y127-F152 HydrophobicContact CE2-CZ 3.97Å; L130-F152 HydrophobicContact CB-CE1 3.74Å; L130-F152 HydrophobicContact CB-CZ 4.16Å; L130-F152 HydrophobicContact CD1-CD1 4.37Å; L130-F152 HydrophobicContact CD1-CE1 3.88Å; L130-F152 HydrophobicContact CD1-CZ 4.03Å; L130-F152 HydrophobicContact CG-CE1 4.43Å; T131-F152 HydrophobicContact CG2-CE1 4.15Å; T131-F152 HydrophobicContact CG2-CZ 4.05Å; L146-F152 HydrophobicContact CD1-CE2 4Å; L146-F152 HydrophobicContact CD1-CZ 4.33Å; L146-F152 HydrophobicContact CD2-CD2 4.06Å; L146-F152 HydrophobicContact CD2-CE2 4.31Å; L146-F152 HydrophobicContact CG-CD2 4.45Å; L146-F152 HydrophobicContact CG-CE2 4.28Å; R149-F152 PolarHBondContact O-N 3.05Å; K150-F152 PolarHBondContact O-N 3.22Å; F152-A155 HydrophobicContact CD1-CB 4.02Å; F152-A155 HydrophobicContact CE1-CB 3.82Å; F152-A155 HydrophobicContact CG-CB 4.46Å; F152-A155 HydrophobicContact CZ-CB 4.13Å; F152-A156 HydrophobicContact CD1-CB 3.72Å; F152-A156 HydrophobicContact CE1-CB 3.8Å; F152-K188 PolarHBondContact O-NZ 2.83Å; F152-L192 HydrophobicContact CB-CD1 3.79Å; F152-L192 HydrophobicContact CB-CD2 3.8Å; F152-L192 HydrophobicContact CB-CG 4.44Å; F152-L192 HydrophobicContact CD1-CD1 3.99Å; F152-L192 HydrophobicContact CG-CD1 3.94Å
153	P	97.3	Very high	96.5	Very high	67 Å²	67	50.3 Å²	50.3	44%	0.435	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.9	-10.3	24	33.2	-37.9	0	0	0	117	A155 A156 A157 L192	P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.97Å; P153-A156 CarbonylContact O-C 3.43Å; P153-A156 PolarHBondContact O-N 3.08Å; P153-A157 PolarHBondContact O-N 3.42Å; P153-L192 HydrophobicContact CB-CD2 3.76Å
154	Q	97.8	Very high	96.4	Very high	142 Å²	142	50.6 Å²	50.6	66%	0.664	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.3	-41.9	-170	-72.4	72.9	11.5	0	0	112.7	S151 A156 A157	S151-Q154 PolarHBondContact O-N 3.25Å; Q154-A156 PolarHBondContact O-N 3.34Å; Q154-A156 VanDerWaalsContact O-N 3.16Å; Q154-A157 VanDerWaalsContact O-CB 3.31Å; Q154-A157 WeakPolarHBondContact O-CB 3.44Å; Q154-A157 PolarHBondContact O-N 3.04Å; Q154-A157 VanDerWaalsContact O-N 3.13Å
155	A	96.4	Very high	96.4	Very high	40 Å²	40	53 Å²	53	33%	0.331	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.2	-22.8	176.8	0	0	0	0	0	114.1	T131 S151 F152 P153	T131-A155 HydrophobicContact CG2-CB 4.34Å; S151-A155 WeakPolarHBondContact O-CB 3.42Å; S151-A155 PolarHBondContact O-N 2.94Å; F152-A155 HydrophobicContact CD1-CB 4.02Å; F152-A155 HydrophobicContact CE1-CB 3.82Å; F152-A155 HydrophobicContact CG-CB 4.46Å; F152-A155 HydrophobicContact CZ-CB 4.13Å; P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.97Å
156	A	95.4	Very high	96.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-108.5	13.6	178.3	0	0	0	0	0	113.3	L130 F152 P153 Q154 N158 S159 K162	L130-A156 HydrophobicContact CB-CB 4.4Å; L130-A156 WeakPolarHBondContact O-CB 3.34Å; F152-A156 HydrophobicContact CD1-CB 3.72Å; F152-A156 HydrophobicContact CE1-CB 3.8Å; P153-A156 CarbonylContact O-C 3.43Å; P153-A156 PolarHBondContact O-N 3.08Å; Q154-A156 PolarHBondContact O-N 3.34Å; Q154-A156 VanDerWaalsContact O-N 3.16Å; A156-N158 VanDerWaalsContact C-N 3.28Å; A156-N158 PolarHBondContact O-N 2.73Å; A156-S159 PolarHBondContact O-N 2.85Å; A156-K162 PolarHBondContact O-NZ 2.86Å
157	A	92.3	Very high	96.5	Very high	64 Å²	64	51.3 Å²	51.3	53%	0.529	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-39.7	-172.7	0	0	0	0	0	112.6	P153 Q154	P153-A157 PolarHBondContact O-N 3.42Å; Q154-A157 VanDerWaalsContact O-CB 3.31Å; Q154-A157 WeakPolarHBondContact O-CB 3.44Å; Q154-A157 PolarHBondContact O-N 3.04Å; Q154-A157 VanDerWaalsContact O-N 3.13Å
158	N	90.9	Very high	96.6	Very high	132 Å²	132	51.3 Å²	51.3	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	11.3	-177.3	-60	-24.9	0	0	0	113.3	Q133 A156	Q133-N158 PolarHBondContact NE2-O 3.17Å; Q133-N158 PolarHBondContact OE1-O 2.86Å; Q133-N158 VanDerWaalsContact OE1-O 3.12Å; A156-N158 VanDerWaalsContact C-N 3.28Å; A156-N158 PolarHBondContact O-N 2.73Å
159	S	94.8	Very high	96.6	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.07	27%	0.27	C	S	.	.			trans	-76.9	131.7	-177.6	178.6	0	0	0	0	111.3	L130 S132 A156 N161	L130-S159 WeakPolarHBondContact O-CB 3.29Å; L130-S159 PolarHBondContact O-OG 3.3Å; S132-S159 PolarHBondContact O-OG 2.82Å; A156-S159 PolarHBondContact O-N 2.85Å; S159-N161 PolarHBondContact O-N 3.15Å; S159-N161 WeakPolarHBondContact OG-CB 3.26Å; S159-N161 PolarHBondContact OG-N 2.89Å
160	P	97.1	Very high	96.8	Very high	56 Å²	56	46.4 Å²	46.4	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-74.4	-2.8	174.1	33.9	-37.1	0	0	0	112.9	S132 Q133 K135 K162	S132-P160 WeakPolarHBondContact O-CD 3.5Å; Q133-P160 WeakPolarHBondContact O-CG 3.48Å; K135-P160 HydrophobicContact CB-CB 4.48Å; K135-P160 HydrophobicContact CB-CG 4.38Å; P160-K162 PolarHBondContact O-N 3.22Å; P160-K162 VanDerWaalsContact O-N 3.15Å
161	N	97.4	Very high	96.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.011	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-85.3	27.1	-172.9	-66.6	-48.9	0	0	0	113.9	A129 Q134 K135 L136 S159 D163 M164 I193	A129-N161 PolarHBondContact O-ND2 2.92Å; Q134-N161 PolarHBondContact O-ND2 2.83Å; Q134-N161 PolarHBondContact O-OD1 2.82Å; K135-N161 WeakPolarHBondContact CA-OD1 3.32Å; L136-N161 PolarHBondContact N-OD1 2.98Å; S159-N161 PolarHBondContact O-N 3.15Å; S159-N161 WeakPolarHBondContact OG-CB 3.26Å; S159-N161 PolarHBondContact OG-N 2.89Å; N161-D163 PolarHBondContact O-N 3.11Å; N161-M164 HydrophobicContact CB-CB 4.17Å; N161-M164 HydrophobicContact CB-CG 4.21Å; N161-M164 HydrophobicContact CB-SD 3.85Å; N161-M164 WeakPolarHBondContact O-CG 3.36Å; N161-M164 PolarHBondContact O-N 2.89Å; N161-I193 WeakPolarHBondContact O-CG2 3.34Å
162	K	96	Very high	97	Very high	74 Å²	74	39.1 Å²	39.1	32%	0.322	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.2	-24.7	179.4	-64.4	-66.7	174.8	-176.5	0	113.6	A156 P160 L192 I193 N194	A156-K162 PolarHBondContact O-NZ 2.86Å; P160-K162 PolarHBondContact O-N 3.22Å; P160-K162 VanDerWaalsContact O-N 3.15Å; K162-L192 WeakPolarHBondContact CD-O 3.33Å; K162-L192 PolarHBondContact NZ-O 3.17Å; K162-I193 CarbonylContact O-C 3.49Å; K162-I193 WeakPolarHBondContact O-CA 3.04Å; K162-I193 WeakPolarHBondContact O-CB 3.44Å; K162-N194 PolarHBondContact O-N 2.88Å
163	D	96.6	Very high	97	Very high	97 Å²	97	42 Å²	42	52%	0.519	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-110.5	12	177.7	-66.1	-63.5	0	0	0	113.2	N161 N194 N197	N161-D163 PolarHBondContact O-N 3.11Å; D163-N194 PolarHBondContact OD1-ND2 2.88Å; D163-N197 PolarHBondContact O-ND2 3.2Å
164	M	97.5	Very high	97.1	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.03	22%	0.224	C	C	.	.			trans	-63.2	149.4	177.5	80.8	176.2	168.2	0	0	111.1	A129 L130 V139 N161 V166 M189 I193 N197	A129-M164 HydrophobicContact CB-CE 4.05Å; A129-M164 HydrophobicContact CB-SD 3.81Å; L130-M164 HydrophobicContact CD2-CE 3.92Å; L130-M164 HydrophobicContact CG-CE 4.19Å; V139-M164 HydrophobicContact CG2-CE 4.18Å; V139-M164 HydrophobicContact CG2-SD 3.89Å; N161-M164 HydrophobicContact CB-CB 4.17Å; N161-M164 HydrophobicContact CB-CG 4.21Å; N161-M164 HydrophobicContact CB-SD 3.85Å; N161-M164 WeakPolarHBondContact O-CG 3.36Å; N161-M164 PolarHBondContact O-N 2.89Å; M164-V166 HydrophobicContact CE-CG2 3.92Å; M164-V166 HydrophobicContact CG-CG2 4.17Å; M164-V166 HydrophobicContact SD-CG2 4.48Å; M164-M189 HydrophobicContact CE-CE 3.76Å; M164-I193 HydrophobicContact CE-CD1 4.06Å; M164-I193 HydrophobicContact CE-CG2 4.46Å; M164-I193 HydrophobicContact CG-CD1 3.97Å; M164-N197 WeakPolarHBondContact O-CB 3.21Å
165	H	98.6	Very high	97	Very high	52 Å²	52	37.4 Å²	37.4	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.8	173.8	-70.9	-87.5	0	0	0	111.3	G138 V139 N197 F221 Q225	G138-H165 CarbonylContact C-O 3.51Å; G138-H165 WeakPolarHBondContact CA-O 3.07Å; V139-H165 PolarHBondContact N-O 3.45Å; H165-N197 WeakPolarHBondContact CA-O 3.35Å; H165-N197 PolarHBondContact CE1-OD1 3.42Å; H165-F221 HydrophobicContact CB-CE2 3.83Å; H165-F221 HydrophobicContact CB-CZ 3.82Å; H165-Q225 HydrophobicContact CB-CG 4.11Å; H165-Q225 PolarHBondContact CD2-OE1 3.21Å
166	V	98.9	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.4	177.8	-179.2	0	0	0	0	109.1	L126 V139 M164 M189 I193 N197 V198 T199	L126-V166 HydrophobicContact CD2-CG1 4.26Å; V139-V166 HydrophobicContact CB-CG1 4.49Å; V139-V166 HydrophobicContact CB-CG2 4.32Å; V139-V166 WeakPolarHBondContact O-CA 3.38Å; M164-V166 HydrophobicContact CE-CG2 3.92Å; M164-V166 HydrophobicContact CG-CG2 4.17Å; M164-V166 HydrophobicContact SD-CG2 4.48Å; V166-M189 HydrophobicContact CG2-CE 3.91Å; V166-I193 HydrophobicContact CG2-CD1 3.65Å; V166-N197 PolarHBondContact N-O 2.8Å; V166-V198 HydrophobicContact CB-CG2 4.44Å; V166-T199 PolarHBondContact O-N 3.27Å
167	L	98.9	Very high	97	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.7	161.6	174.4	64.2	0	0	0	107.5	V139 V140 A141 T199 K201 I218 F221	V139-L167 PolarHBondContact O-N 3.47Å; V140-L167 CarbonylContact C-O 3.38Å; V140-L167 WeakPolarHBondContact CA-O 3.44Å; A141-L167 PolarHBondContact N-O 3.17Å; L167-T199 HydrophobicContact CD1-CG2 4.18Å; L167-K201 HydrophobicContact CD1-CD 4.22Å; L167-K201 HydrophobicContact CD1-CG 4.23Å; L167-I218 HydrophobicContact CD2-CG1 4.19Å; L167-F221 HydrophobicContact CB-CB 4.35Å; L167-F221 HydrophobicContact CB-CD1 4.05Å; L167-F221 HydrophobicContact CB-CD2 3.66Å; L167-F221 HydrophobicContact CB-CE1 4.22Å; L167-F221 HydrophobicContact CB-CE2 3.84Å; L167-F221 HydrophobicContact CB-CG 3.75Å; L167-F221 HydrophobicContact CB-CZ 4.12Å; L167-F221 HydrophobicContact CD2-CB 3.74Å; L167-F221 HydrophobicContact CD2-CG 4.07Å
168	Q	98.9	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129	170.9	-172.1	-176.3	-20.1	0	0	109.1	A141 G182 A186 T199 F200 K201	A141-Q168 HydrophobicContact CB-CB 4.4Å; A141-Q168 HydrophobicContact CB-CG 4.21Å; A141-Q168 CarbonylContact O-C 3.52Å; A141-Q168 VanDerWaalsContact O-CA 3.26Å; A141-Q168 WeakPolarHBondContact O-CA 3.38Å; A141-Q168 WeakPolarHBondContact O-CG 3.4Å; Q168-G182 VanDerWaalsContact NE2-C 3.34Å; Q168-G182 VanDerWaalsContact NE2-CA 3.31Å; Q168-G182 PolarHBondContact NE2-O 3.03Å; Q168-A186 VanDerWaalsContact OE1-CA 3.29Å; Q168-T199 PolarHBondContact N-O 3.23Å; Q168-F200 HydrophobicContact CB-CD2 3.98Å; Q168-F200 HydrophobicContact CG-CD2 3.82Å; Q168-F200 HydrophobicContact CG-CE2 4.13Å; Q168-F200 CarbonylContact O-C 3.58Å; Q168-F200 WeakPolarHBondContact O-CA 3.49Å; Q168-K201 PolarHBondContact O-N 2.99Å
169	C	98.9	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.8	-178.7	-65.3	0	0	0	0	109.9	A141 L142 S143 K201 Y203 E214	A141-C169 PolarHBondContact O-N 3.16Å; L142-C169 HydrophobicContact CD2-CB 3.64Å; S143-C169 PolarHBondContact N-O 3.39Å; C169-K201 CarbonylContact C-O 2.97Å; C169-K201 WeakPolarHBondContact CA-O 3.28Å; C169-Y203 HydrophobicContact CB-CD2 4.44Å; C169-Y203 HydrophobicContact CB-CE2 3.69Å; C169-E214 HydrophobicContact CB-CG 3.92Å; C169-E214 WeakPolarHBondContact CB-OE1 3.28Å
170	H	98.8	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	139.8	179.6	-139.6	111.8	0	0	0	111.8	D174 V177 F179 G182 F200 K201 S202 Y203	H170-D174 IonicContact NE2-OD2 2.61Å; H170-V177 PolarHBondContact NE2-O 3.44Å; H170-F179 HydrophobicContact CB-CD2 3.98Å; H170-F179 HydrophobicContact CB-CE2 4.08Å; H170-G182 WeakPolarHBondContact ND1-CA 3.2Å; H170-F200 HydrophobicContact CB-CE2 3.82Å; H170-F200 HydrophobicContact CB-CZ 4.02Å; H170-K201 PolarHBondContact N-O 3.13Å; H170-S202 CarbonylContact O-C 3.54Å; H170-S202 VanDerWaalsContact O-CA 3.24Å; H170-S202 WeakPolarHBondContact O-CA 3.25Å; H170-Y203 PolarHBondContact O-N 3.19Å
171	G	98.7	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.9	168.3	0	0	0	0	0	112.2	S173 L206	G171-S173 PolarHBondContact O-N 3.05Å; G171-L206 CarbonylContact C-O 3.57Å; G171-L206 VanDerWaalsContact CA-O 3.22Å; G171-L206 WeakPolarHBondContact CA-O 3.42Å
172	D	97.9	Very high	97.4	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.9	179.3	73.2	2.4	0	0	0	113.7	F179 Y203 R204 G205	D172-F179 HydrophobicContact CB-CD2 4.36Å; D172-Y203 PolarHBondContact N-O 3.15Å; D172-R204 WeakPolarHBondContact OD2-CA 3.41Å; D172-G205 PolarHBondContact OD1-N 2.95Å
173	S	98.1	Very high	97.5	Very high	66 Å²	66	35.6 Å²	35.6	46%	0.462	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	21.7	-177.8	-58.5	0	0	0	0	112	G171 P175 G205 L206	G171-S173 PolarHBondContact O-N 3.05Å; S173-P175 VanDerWaalsContact O-CD 3.28Å; S173-P175 WeakPolarHBondContact O-CD 3.12Å; S173-G205 WeakPolarHBondContact OG-CA 3.33Å; S173-L206 CarbonylContact C-O 3.52Å; S173-L206 PolarHBondContact N-O 2.8Å
174	D	98.3	Very high	97.5	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.059	20%	0.201	C	C	.	.			trans	-68.5	114.8	179.1	-170.7	-30.6	0	0	0	111.5	H170 L176 V177 H208	H170-D174 IonicContact NE2-OD2 2.61Å; D174-L176 PolarHBondContact OD1-N 3.42Å; D174-V177 WeakPolarHBondContact CB-O 3.2Å; D174-V177 PolarHBondContact OD1-N 2.82Å; D174-H208 VanDerWaalsContact CG-ND1 3.31Å; D174-H208 WeakPolarHBondContact OD1-CB 3.47Å; D174-H208 IonicContact OD1-CG 2.72Å; D174-H208 IonicContact OD1-ND1 3.75Å; D174-H208 PolarHBondContact OD1-ND1 3.48Å; D174-H208 VanDerWaalsContact OD1-ND1 3.17Å; D174-H208 IonicContact OD2-CE1 2.91Å; D174-H208 IonicContact OD2-CG 2.74Å; D174-H208 IonicContact OD2-ND1 2.79Å; D174-H208 PolarHBondContact OD2-ND1 2.75Å
175	P	96.3	Very high	97.6	Very high	101 Å²	101	35.9 Å²	35.9	66%	0.656	20%	0.203	S	C	*	.	S	Bend	trans	-86.2	-10	-178.2	35.4	-34.6	0	0	0	113.7	S173	S173-P175 VanDerWaalsContact O-CD 3.28Å; S173-P175 WeakPolarHBondContact O-CD 3.12Å
176	L	95.2	Very high	97.6	Very high	89 Å²	89	33.4 Å²	33.4	47%	0.466	19%	0.191	S	C	.	.	S	Bend	trans	-105.2	-46.7	-173.9	-65.7	-176.7	0	0	0	112.2	D174 P178 H208	D174-L176 PolarHBondContact OD1-N 3.42Å; L176-P178 WeakPolarHBondContact O-CD 3.49Å; L176-H208 HydrophobicContact CB-CB 4.17Å; L176-H208 HydrophobicContact CD1-CB 4.02Å; L176-H208 HydrophobicContact CG-CB 4.2Å
177	V	96.5	Very high	97.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	22%	0.216	C	C	.	.	S	Bend	trans	-113.5	93.7	172.2	-176.1	0	0	0	0	106.8	W145 H170 D174 F179 F181	W145-V177 HydrophobicContact CE3-CG1 4.25Å; W145-V177 HydrophobicContact CE3-CG2 4.23Å; W145-V177 HydrophobicContact CZ3-CG2 4.09Å; H170-V177 PolarHBondContact NE2-O 3.44Å; D174-V177 WeakPolarHBondContact CB-O 3.2Å; D174-V177 PolarHBondContact OD1-N 2.82Å; V177-F179 PolarHBondContact O-N 3Å; V177-F181 HydrophobicContact CG1-CB 4.32Å; V177-F181 HydrophobicContact CG1-CD2 4.31Å
178	P	95.6	Very high	97.5	Very high	46 Å²	46	41.3 Å²	41.3	30%	0.299	23%	0.227	S	C	.	.			trans	-51.1	137	-176	-29.6	35.6	0	0	0	112.2	L176 V180 F181	L176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-V180 HydrophobicContact CB-CG1 3.96Å; P178-V180 PolarHBondContact O-N 3.1Å; P178-F181 HydrophobicContact CB-CD1 4.34Å; P178-F181 HydrophobicContact CB-CE1 4.2Å; P178-F181 HydrophobicContact CB-CZ 4.43Å; P178-F181 HydrophobicContact CG-CE1 4.18Å; P178-F181 HydrophobicContact CG-CE2 4.2Å; P178-F181 HydrophobicContact CG-CZ 3.92Å; P178-F181 WeakPolarHBondContact O-CB 3.13Å; P178-F181 PolarHBondContact O-N 3.28Å
179	F	97	Very high	97.5	Very high	64 Å²	64	41.3 Å²	41.3	28%	0.281	23%	0.227	S	C	.	.	H	α-helix	trans	-50.1	-34.6	-178.8	-179.2	-99.8	0	0	0	113.6	H170 D172 V177 F181 G182 A183 F200 S202	H170-F179 HydrophobicContact CB-CD2 3.98Å; H170-F179 HydrophobicContact CB-CE2 4.08Å; D172-F179 HydrophobicContact CB-CD2 4.36Å; V177-F179 PolarHBondContact O-N 3Å; F179-F181 PolarHBondContact O-N 2.76Å; F179-G182 WeakPolarHBondContact O-CA 3.35Å; F179-G182 PolarHBondContact O-N 2.74Å; F179-G182 VanDerWaalsContact O-N 3.07Å; F179-A183 PolarHBondContact O-N 3.29Å; F179-F200 HydrophobicContact CD2-CZ 4.32Å; F179-F200 HydrophobicContact CE1-CE1 4.27Å; F179-F200 AromaticContact CE2-CE1 3.89Å; F179-F200 HydrophobicContact CE2-CE1 3.89Å; F179-F200 AromaticContact CE2-CZ 3.57Å; F179-F200 HydrophobicContact CE2-CZ 3.57Å; F179-F200 AromaticContact CZ-CE1 3.51Å; F179-F200 HydrophobicContact CZ-CE1 3.51Å; F179-F200 AromaticContact CZ-CZ 3.69Å; F179-F200 HydrophobicContact CZ-CZ 3.69Å; F179-S202 VanDerWaalsContact CE2-CB 3.46Å
180	V	96.1	Very high	97.5	Very high	77 Å²	77	44.8 Å²	44.8	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-31.2	176.2	64.3	0	0	0	0	112.9	P178 A183 Q184	P178-V180 HydrophobicContact CB-CG1 3.96Å; P178-V180 PolarHBondContact O-N 3.1Å; V180-A183 PolarHBondContact O-N 3.3Å; V180-Q184 HydrophobicContact CG2-CG 4.41Å; V180-Q184 WeakPolarHBondContact O-CB 3.46Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.4Å; V180-Q184 PolarHBondContact O-N 2.63Å
181	F	95.1	Very high	97.4	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-70.7	-38.8	175.4	-64	5.6	0	0	0	111.1	L78 P80 V177 P178 F179 Q184 T185	L78-F181 VanDerWaalsContact O-CE2 3.22Å; L78-F181 WeakPolarHBondContact O-CE2 3.41Å; L78-F181 WeakPolarHBondContact O-CZ 3.28Å; P80-F181 VanDerWaalsContact CD-CZ 3.42Å; P80-F181 HydrophobicContact CG-CD1 4.24Å; P80-F181 HydrophobicContact CG-CE1 3.39Å; P80-F181 HydrophobicContact CG-CZ 3.61Å; V177-F181 HydrophobicContact CG1-CB 4.32Å; V177-F181 HydrophobicContact CG1-CD2 4.31Å; P178-F181 HydrophobicContact CB-CD1 4.34Å; P178-F181 HydrophobicContact CB-CE1 4.2Å; P178-F181 HydrophobicContact CB-CZ 4.43Å; P178-F181 HydrophobicContact CG-CE1 4.18Å; P178-F181 HydrophobicContact CG-CE2 4.2Å; P178-F181 HydrophobicContact CG-CZ 3.92Å; P178-F181 WeakPolarHBondContact O-CB 3.13Å; P178-F181 PolarHBondContact O-N 3.28Å; F179-F181 PolarHBondContact O-N 2.76Å; F181-Q184 PolarHBondContact O-N 2.91Å; F181-T185 VanDerWaalsContact O-CB 3.24Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 PolarHBondContact O-N 3.45Å; F181-T185 PolarHBondContact O-OG1 3.13Å
182	G	97.4	Very high	97.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-51.2	171	0	0	0	0	0	110.8	Q168 H170 F179 Q184 T185 A186	Q168-G182 VanDerWaalsContact NE2-C 3.34Å; Q168-G182 VanDerWaalsContact NE2-CA 3.31Å; Q168-G182 PolarHBondContact NE2-O 3.03Å; H170-G182 WeakPolarHBondContact ND1-CA 3.2Å; F179-G182 WeakPolarHBondContact O-CA 3.35Å; F179-G182 PolarHBondContact O-N 2.74Å; F179-G182 VanDerWaalsContact O-N 3.07Å; G182-Q184 PolarHBondContact O-N 3.46Å; G182-T185 WeakPolarHBondContact O-CB 3.39Å; G182-T185 PolarHBondContact O-N 3.37Å; G182-T185 VanDerWaalsContact O-N 3.17Å; G182-A186 PolarHBondContact O-N 3.16Å
183	A	98.1	Very high	97.4	Very high	31 Å²	31	46.5 Å²	46.5	26%	0.256	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-46	178.3	0	0	0	0	0	112.7	F179 V180 T185 A186 E187 F200	F179-A183 PolarHBondContact O-N 3.29Å; V180-A183 PolarHBondContact O-N 3.3Å; A183-T185 VanDerWaalsContact C-N 3.3Å; A183-T185 PolarHBondContact O-N 3.27Å; A183-A186 PolarHBondContact O-N 3.22Å; A183-E187 PolarHBondContact O-N 3.03Å; A183-F200 HydrophobicContact CB-CE1 4.16Å; A183-F200 HydrophobicContact CB-CZ 4.47Å
184	Q	97.3	Very high	97.4	Very high	99 Å²	99	46 Å²	46	46%	0.463	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-37.9	176	-75	175.8	-6.9	0	0	112.3	V180 F181 G182 K188	V180-Q184 HydrophobicContact CG2-CG 4.41Å; V180-Q184 WeakPolarHBondContact O-CB 3.46Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.4Å; V180-Q184 PolarHBondContact O-N 2.63Å; F181-Q184 PolarHBondContact O-N 2.91Å; G182-Q184 PolarHBondContact O-N 3.46Å; Q184-K188 WeakPolarHBondContact O-CB 3.24Å; Q184-K188 PolarHBondContact O-N 3.27Å
185	T	98.4	Very high	97.4	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.5	-65.9	0	0	0	0	110.7	L126 W145 L146 F181 G182 A183 E187 K188 M189	L126-T185 HydrophobicContact CD1-CG2 3.75Å; W145-T185 VanDerWaalsContact CA-OG1 3.32Å; W145-T185 WeakPolarHBondContact CA-OG1 3.22Å; L146-T185 HydrophobicContact CB-CG2 3.85Å; L146-T185 PolarHBondContact N-OG1 2.89Å; F181-T185 VanDerWaalsContact O-CB 3.24Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 PolarHBondContact O-N 3.45Å; F181-T185 PolarHBondContact O-OG1 3.13Å; G182-T185 WeakPolarHBondContact O-CB 3.39Å; G182-T185 PolarHBondContact O-N 3.37Å; G182-T185 VanDerWaalsContact O-N 3.17Å; A183-T185 VanDerWaalsContact C-N 3.3Å; A183-T185 PolarHBondContact O-N 3.27Å; T185-E187 PolarHBondContact O-N 3.27Å; T185-K188 PolarHBondContact O-N 3.15Å; T185-M189 HydrophobicContact CG2-CG 4.33Å; T185-M189 VanDerWaalsContact O-CG 3.29Å; T185-M189 WeakPolarHBondContact O-CG 3.32Å; T185-M189 PolarHBondContact O-N 2.83Å
186	A	98.7	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-44.1	178.7	0	0	0	0	0	111.9	Q168 G182 A183 M189 K190 F200	Q168-A186 VanDerWaalsContact OE1-CA 3.29Å; G182-A186 PolarHBondContact O-N 3.16Å; A183-A186 PolarHBondContact O-N 3.22Å; A186-M189 PolarHBondContact O-N 3.04Å; A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 3.24Å; A186-F200 HydrophobicContact CB-CB 3.83Å; A186-F200 HydrophobicContact CB-CD1 4.3Å; A186-F200 HydrophobicContact CB-CD2 4.05Å; A186-F200 HydrophobicContact CB-CG 3.82Å
187	E	98.5	Very high	97.7	Very high	111 Å²	111	45.1 Å²	45.1	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-41.1	175.9	-68.5	-51.9	122.2	0	0	112.1	A183 T185 M189 K190 S191	A183-E187 PolarHBondContact O-N 3.03Å; T185-E187 PolarHBondContact O-N 3.27Å; E187-M189 VanDerWaalsContact C-N 3.34Å; E187-M189 PolarHBondContact O-N 3.02Å; E187-K190 PolarHBondContact O-N 3.12Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 3.27Å; E187-S191 PolarHBondContact O-N 2.74Å; E187-S191 VanDerWaalsContact O-N 3.12Å
188	K	98.2	Very high	97.8	Very high	59 Å²	59	45.5 Å²	45.5	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-40.3	173.9	-173.8	59.7	173.8	-177.3	0	111.5	L146 F152 Q184 T185 S191 L192	L146-K188 HydrophobicContact CD2-CB 4.45Å; L146-K188 HydrophobicContact CD2-CG 3.66Å; F152-K188 PolarHBondContact O-NZ 2.83Å; Q184-K188 WeakPolarHBondContact O-CB 3.24Å; Q184-K188 PolarHBondContact O-N 3.27Å; T185-K188 PolarHBondContact O-N 3.15Å; K188-S191 PolarHBondContact O-N 2.83Å; K188-S191 VanDerWaalsContact O-N 3.15Å; K188-S191 PolarHBondContact O-OG 3Å; K188-L192 HydrophobicContact CD-CD1 4.34Å; K188-L192 HydrophobicContact CD-CG 4.4Å; K188-L192 HydrophobicContact CG-CD1 4.01Å; K188-L192 HydrophobicContact CG-CG 4.48Å; K188-L192 VanDerWaalsContact O-CG 3.23Å; K188-L192 WeakPolarHBondContact O-CG 3.38Å; K188-L192 PolarHBondContact O-N 3.38Å
189	M	98.5	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-46.8	175.6	-71.1	-56.4	-67.8	0	0	111.5	L126 L130 M164 V166 T185 A186 E187 S191 L192 I193 V198	L126-M189 HydrophobicContact CD2-CE 3.88Å; L126-M189 HydrophobicContact CD2-CG 4.45Å; L126-M189 HydrophobicContact CD2-SD 4.06Å; L130-M189 HydrophobicContact CD1-CE 4.14Å; L130-M189 HydrophobicContact CD1-SD 3.71Å; L130-M189 HydrophobicContact CD2-CE 4.01Å; L130-M189 HydrophobicContact CD2-SD 4.45Å; L130-M189 HydrophobicContact CG-CE 4.15Å; L130-M189 HydrophobicContact CG-SD 4.37Å; M164-M189 HydrophobicContact CE-CE 3.76Å; V166-M189 HydrophobicContact CG2-CE 3.91Å; T185-M189 HydrophobicContact CG2-CG 4.33Å; T185-M189 VanDerWaalsContact O-CG 3.29Å; T185-M189 WeakPolarHBondContact O-CG 3.32Å; T185-M189 PolarHBondContact O-N 2.83Å; A186-M189 PolarHBondContact O-N 3.04Å; E187-M189 VanDerWaalsContact C-N 3.34Å; E187-M189 PolarHBondContact O-N 3.02Å; M189-S191 PolarHBondContact O-N 3.07Å; M189-S191 VanDerWaalsContact O-N 3.17Å; M189-L192 PolarHBondContact O-N 2.81Å; M189-I193 HydrophobicContact CE-CD1 4.08Å; M189-I193 HydrophobicContact CE-CG1 4.49Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.5Å; M189-I193 PolarHBondContact O-N 3.44Å; M189-I193 VanDerWaalsContact O-N 3.09Å; M189-V198 HydrophobicContact CB-CG1 4.09Å; M189-V198 HydrophobicContact CB-CG2 4.22Å
190	K	98.6	Very high	98	Very high	73 Å²	73	46 Å²	46	32%	0.317	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-26.5	174.8	-72	172.1	-170.9	169.3	0	113.3	A186 E187 P195 V198	A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 3.24Å; E187-K190 PolarHBondContact O-N 3.12Å; E187-K190 IonicContact OE1-NZ 2.73Å; E187-K190 PolarHBondContact OE1-NZ 3.27Å; K190-P195 HydrophobicContact CB-CB 3.97Å; K190-P195 HydrophobicContact CG-CB 4.15Å; K190-V198 HydrophobicContact CG-CB 3.89Å; K190-V198 HydrophobicContact CG-CG1 4.02Å; K190-V198 HydrophobicContact CG-CG2 4.33Å
191	S	97.9	Very high	98.1	Very high	84 Å²	84	45.8 Å²	45.8	59%	0.587	25%	0.254	S	S	*	.	H	α-helix	trans	-84.5	-14.4	175.5	96.6	0	0	0	0	113.8	E187 K188 M189	E187-S191 PolarHBondContact O-N 2.74Å; E187-S191 VanDerWaalsContact O-N 3.12Å; K188-S191 PolarHBondContact O-N 2.83Å; K188-S191 VanDerWaalsContact O-N 3.15Å; K188-S191 PolarHBondContact O-OG 3Å; M189-S191 PolarHBondContact O-N 3.07Å; M189-S191 VanDerWaalsContact O-N 3.17Å
192	L	97.9	Very high	98.3	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-104.6	-28.4	-173.3	-69.8	176.7	0	0	0	113.7	L130 L146 F152 P153 K162 K188 M189	L130-L192 HydrophobicContact CD1-CD1 4.05Å; L130-L192 HydrophobicContact CD2-CB 4.43Å; L146-L192 HydrophobicContact CD2-CD1 3.95Å; F152-L192 HydrophobicContact CB-CD1 3.79Å; F152-L192 HydrophobicContact CB-CD2 3.8Å; F152-L192 HydrophobicContact CB-CG 4.44Å; F152-L192 HydrophobicContact CD1-CD1 3.99Å; F152-L192 HydrophobicContact CG-CD1 3.94Å; P153-L192 HydrophobicContact CB-CD2 3.76Å; K162-L192 WeakPolarHBondContact CD-O 3.33Å; K162-L192 PolarHBondContact NZ-O 3.17Å; K188-L192 HydrophobicContact CD-CD1 4.34Å; K188-L192 HydrophobicContact CD-CG 4.4Å; K188-L192 HydrophobicContact CG-CD1 4.01Å; K188-L192 HydrophobicContact CG-CG 4.48Å; K188-L192 VanDerWaalsContact O-CG 3.23Å; K188-L192 WeakPolarHBondContact O-CG 3.38Å; K188-L192 PolarHBondContact O-N 3.38Å; M189-L192 PolarHBondContact O-N 2.81Å
193	I	97.8	Very high	98.4	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.056	27%	0.274	C	S	.	.	S	Bend	trans	-133.9	176.7	-179.4	63.3	164	0	0	0	109.7	L130 N161 K162 M164 V166 M189 P195 V198	L130-I193 HydrophobicContact CD2-CG2 3.85Å; N161-I193 WeakPolarHBondContact O-CG2 3.34Å; K162-I193 CarbonylContact O-C 3.49Å; K162-I193 WeakPolarHBondContact O-CA 3.04Å; K162-I193 WeakPolarHBondContact O-CB 3.44Å; M164-I193 HydrophobicContact CE-CD1 4.06Å; M164-I193 HydrophobicContact CE-CG2 4.46Å; M164-I193 HydrophobicContact CG-CD1 3.97Å; V166-I193 HydrophobicContact CG2-CD1 3.65Å; M189-I193 HydrophobicContact CE-CD1 4.08Å; M189-I193 HydrophobicContact CE-CG1 4.49Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.5Å; M189-I193 PolarHBondContact O-N 3.44Å; M189-I193 VanDerWaalsContact O-N 3.09Å; I193-P195 VanDerWaalsContact O-CD 3.3Å; I193-P195 WeakPolarHBondContact O-CD 3.36Å; I193-P195 VanDerWaalsContact O-N 3.08Å; I193-V198 HydrophobicContact CD1-CG2 3.63Å; I193-V198 HydrophobicContact CG1-CG2 3.74Å
194	N	98	Very high	98.4	Very high	57 Å²	57	58.2 Å²	58.2	31%	0.305	30%	0.304	S	S	.	.			trans	-56.3	114.2	178.9	-173.9	-20	0	0	0	110.7	K162 D163 A196 N197	K162-N194 PolarHBondContact O-N 2.88Å; D163-N194 PolarHBondContact OD1-ND2 2.88Å; N194-A196 PolarHBondContact O-N 2.77Å; N194-A196 WeakPolarHBondContact OD1-CB 3.45Å; N194-A196 PolarHBondContact OD1-N 2.85Å; N194-A196 VanDerWaalsContact OD1-N 3.13Å; N194-N197 HydrophobicContact CB-CB 4.44Å; N194-N197 WeakPolarHBondContact O-CB 3.39Å; N194-N197 PolarHBondContact O-N 3.22Å
195	P	98.4	Very high	98.4	Very high	75 Å²	75	55.8 Å²	55.8	49%	0.487	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.8	-25.6	-173.5	24.9	-34.5	0	0	0	112.9	K190 I193 N197 V198	K190-P195 HydrophobicContact CB-CB 3.97Å; K190-P195 HydrophobicContact CG-CB 4.15Å; I193-P195 VanDerWaalsContact O-CD 3.3Å; I193-P195 WeakPolarHBondContact O-CD 3.36Å; I193-P195 VanDerWaalsContact O-N 3.08Å; P195-N197 PolarHBondContact O-N 3.04Å; P195-V198 PolarHBondContact O-N 2.81Å
196	A	98.3	Very high	98.4	Very high	82 Å²	82	56 Å²	56	68%	0.678	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.7	176	0	0	0	0	0	112.8	N194	N194-A196 PolarHBondContact O-N 2.77Å; N194-A196 WeakPolarHBondContact OD1-CB 3.45Å; N194-A196 PolarHBondContact OD1-N 2.85Å; N194-A196 VanDerWaalsContact OD1-N 3.13Å
197	N	98.6	Very high	98.4	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.134	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-97.1	-2.3	-178	-65.5	-6.7	0	0	0	112.7	D163 M164 H165 V166 N194 P195	D163-N197 PolarHBondContact O-ND2 3.2Å; M164-N197 WeakPolarHBondContact O-CB 3.21Å; H165-N197 WeakPolarHBondContact CA-O 3.35Å; H165-N197 PolarHBondContact CE1-OD1 3.42Å; V166-N197 PolarHBondContact N-O 2.8Å; N194-N197 HydrophobicContact CB-CB 4.44Å; N194-N197 WeakPolarHBondContact O-CB 3.39Å; N194-N197 PolarHBondContact O-N 3.22Å; P195-N197 PolarHBondContact O-N 3.04Å
198	V	98.8	Very high	98.4	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.6	178.2	-176.5	0	0	0	0	110.3	V166 M189 K190 I193 P195	V166-V198 HydrophobicContact CB-CG2 4.44Å; M189-V198 HydrophobicContact CB-CG1 4.09Å; M189-V198 HydrophobicContact CB-CG2 4.22Å; K190-V198 HydrophobicContact CG-CB 3.89Å; K190-V198 HydrophobicContact CG-CG1 4.02Å; K190-V198 HydrophobicContact CG-CG2 4.33Å; I193-V198 HydrophobicContact CD1-CG2 3.63Å; I193-V198 HydrophobicContact CG1-CG2 3.74Å; P195-V198 PolarHBondContact O-N 2.81Å
199	T	98.9	Very high	98.4	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.1	173.7	-57.8	0	0	0	0	109.6	V166 L167 Q168 K201	V166-T199 PolarHBondContact O-N 3.27Å; L167-T199 HydrophobicContact CD1-CG2 4.18Å; Q168-T199 PolarHBondContact N-O 3.23Å; T199-K201 HydrophobicContact CG2-CG 4.09Å
200	F	98.8	Very high	98.3	Very high	57 Å²	57	57.3 Å²	57.3	25%	0.25	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.8	172.1	-178	-125.9	0	0	0	109.6	Q168 H170 F179 A183 A186	Q168-F200 HydrophobicContact CB-CD2 3.98Å; Q168-F200 HydrophobicContact CG-CD2 3.82Å; Q168-F200 HydrophobicContact CG-CE2 4.13Å; Q168-F200 CarbonylContact O-C 3.58Å; Q168-F200 WeakPolarHBondContact O-CA 3.49Å; H170-F200 HydrophobicContact CB-CE2 3.82Å; H170-F200 HydrophobicContact CB-CZ 4.02Å; F179-F200 HydrophobicContact CD2-CZ 4.32Å; F179-F200 HydrophobicContact CE1-CE1 4.27Å; F179-F200 AromaticContact CE2-CE1 3.89Å; F179-F200 HydrophobicContact CE2-CE1 3.89Å; F179-F200 AromaticContact CE2-CZ 3.57Å; F179-F200 HydrophobicContact CE2-CZ 3.57Å; F179-F200 AromaticContact CZ-CE1 3.51Å; F179-F200 HydrophobicContact CZ-CE1 3.51Å; F179-F200 AromaticContact CZ-CZ 3.69Å; F179-F200 HydrophobicContact CZ-CZ 3.69Å; A183-F200 HydrophobicContact CB-CE1 4.16Å; A183-F200 HydrophobicContact CB-CZ 4.47Å; A186-F200 HydrophobicContact CB-CB 3.83Å; A186-F200 HydrophobicContact CB-CD1 4.3Å; A186-F200 HydrophobicContact CB-CD2 4.05Å; A186-F200 HydrophobicContact CB-CG 3.82Å
201	K	98.8	Very high	98.3	Very high	71 Å²	71	54.9 Å²	54.9	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135	178.1	-70.7	-165	166.1	-165.1	0	110.6	L167 Q168 C169 H170 T199 Y203 D217	L167-K201 HydrophobicContact CD1-CD 4.22Å; L167-K201 HydrophobicContact CD1-CG 4.23Å; Q168-K201 PolarHBondContact O-N 2.99Å; C169-K201 CarbonylContact C-O 2.97Å; C169-K201 WeakPolarHBondContact CA-O 3.28Å; H170-K201 PolarHBondContact N-O 3.13Å; T199-K201 HydrophobicContact CG2-CG 4.09Å; K201-Y203 HydrophobicContact CB-CE2 4Å; K201-D217 HydrophobicContact CD-CB 4.25Å; K201-D217 WeakPolarHBondContact CD-OD2 3.21Å; K201-D217 IonicContact NZ-OD1 3.59Å; K201-D217 PolarHBondContact NZ-OD1 2.89Å; K201-D217 IonicContact NZ-OD2 3.57Å; K201-D217 PolarHBondContact NZ-OD2 3.43Å
202	S	98.5	Very high	98.3	Very high	72 Å²	72	55.9 Å²	55.9	50%	0.503	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.2	173.8	61.1	0	0	0	0	111.4	H170 F179	H170-S202 CarbonylContact O-C 3.54Å; H170-S202 VanDerWaalsContact O-CA 3.24Å; H170-S202 WeakPolarHBondContact O-CA 3.25Å; F179-S202 VanDerWaalsContact CE2-CB 3.46Å
203	Y	98.8	Very high	98.3	Very high	14 Å²	14	61.7 Å²	61.7	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.7	179.3	-61.3	-88.4	0	0	0	109.5	C169 H170 D172 K201 L206 E213 E214 D217	C169-Y203 HydrophobicContact CB-CD2 4.44Å; C169-Y203 HydrophobicContact CB-CE2 3.69Å; H170-Y203 PolarHBondContact O-N 3.19Å; D172-Y203 PolarHBondContact N-O 3.15Å; K201-Y203 HydrophobicContact CB-CE2 4Å; Y203-L206 HydrophobicContact CD2-CD2 4.28Å; Y203-L206 HydrophobicContact CG-CD2 4.1Å; Y203-L206 PolarHBondContact O-N 3.17Å; Y203-E213 HydrophobicContact CD1-CB 4.26Å; Y203-E213 HydrophobicContact CE1-CB 4.13Å; Y203-E214 HydrophobicContact CD1-CB 4.24Å; Y203-E214 HydrophobicContact CD2-CB 4.26Å; Y203-E214 HydrophobicContact CD2-CG 4.34Å; Y203-E214 HydrophobicContact CE1-CB 3.81Å; Y203-E214 HydrophobicContact CE2-CB 3.87Å; Y203-E214 HydrophobicContact CE2-CG 3.75Å; Y203-E214 HydrophobicContact CG-CB 4.46Å; Y203-E214 VanDerWaalsContact CZ-CA 3.49Å; Y203-D217 WeakPolarHBondContact OH-CB 3.47Å; Y203-D217 PolarHBondContact OH-OD2 2.95Å
204	R	98.3	Very high	98.4	Very high	236 Å²	236	61.1 Å²	61.1	89%	0.891	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	129.5	-171.7	-174.5	179.9	-179.9	-170.6	-0.2	111.6	D172 L206	D172-R204 WeakPolarHBondContact OD2-CA 3.41Å; R204-L206 PolarHBondContact O-N 3.09Å
205	G	98.3	Very high	98.4	Very high	48 Å²	48	59.4 Å²	59.4	50%	0.495	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	-0.3	179.3	0	0	0	0	0	114.4	D172 S173 P207	D172-G205 PolarHBondContact OD1-N 2.95Å; S173-G205 WeakPolarHBondContact OG-CA 3.33Å; G205-P207 VanDerWaalsContact O-CD 3.3Å; G205-P207 WeakPolarHBondContact O-CD 3.38Å
206	L	98.6	Very high	98.4	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	34%	0.339	C	S	.	.			trans	-74.1	121.9	179.2	-177.6	64.6	0	0	0	109	G171 S173 Y203 R204 C211	G171-L206 CarbonylContact C-O 3.57Å; G171-L206 VanDerWaalsContact CA-O 3.22Å; G171-L206 WeakPolarHBondContact CA-O 3.42Å; S173-L206 CarbonylContact C-O 3.52Å; S173-L206 PolarHBondContact N-O 2.8Å; Y203-L206 HydrophobicContact CD2-CD2 4.28Å; Y203-L206 HydrophobicContact CG-CD2 4.1Å; Y203-L206 PolarHBondContact O-N 3.17Å; R204-L206 PolarHBondContact O-N 3.09Å; L206-C211 HydrophobicContact CD1-CB 3.81Å; L206-C211 HydrophobicContact CD2-CB 4.4Å
207	P	98.5	Very high	98.4	Very high	66 Å²	66	56.9 Å²	56.9	43%	0.429	31%	0.312	S	S	.	.			trans	-78.5	-157.1	172.5	34.9	-39	0	0	0	110.8	G205 S209	G205-P207 VanDerWaalsContact O-CD 3.3Å; G205-P207 WeakPolarHBondContact O-CD 3.38Å; P207-S209 PolarHBondContact O-N 2.84Å
208	H	98.2	Very high	98.4	Very high	41 Å²	41	55.7 Å²	55.7	19%	0.19	31%	0.306	C	S	.	.	S	Bend	trans	-72.5	70.2	174	-159.2	66	0	0	0	111.9	F118 S119 D174 L176	F118-H208 AromaticContact CE1-CD2 3.76Å; F118-H208 AromaticContact CE1-NE2 3.45Å; F118-H208 WeakPolarHBondContact CE1-NE2 3.39Å; F118-H208 AromaticContact CZ-CD2 3.63Å; F118-H208 AromaticContact CZ-CE1 3.83Å; F118-H208 AromaticContact CZ-CG 3.98Å; F118-H208 AromaticContact CZ-NE2 3.57Å; S119-H208 VanDerWaalsContact CB-NE2 3.34Å; S119-H208 WeakPolarHBondContact CB-NE2 3.39Å; S119-H208 PolarHBondContact OG-CE1 3.15Å; S119-H208 PolarHBondContact OG-NE2 2.88Å; S119-H208 VanDerWaalsContact OG-NE2 3.08Å; D174-H208 VanDerWaalsContact CG-ND1 3.31Å; D174-H208 WeakPolarHBondContact OD1-CB 3.47Å; D174-H208 IonicContact OD1-CG 2.72Å; D174-H208 IonicContact OD1-ND1 3.75Å; D174-H208 PolarHBondContact OD1-ND1 3.48Å; D174-H208 VanDerWaalsContact OD1-ND1 3.17Å; D174-H208 IonicContact OD2-CE1 2.91Å; D174-H208 IonicContact OD2-CG 2.74Å; D174-H208 IonicContact OD2-ND1 2.79Å; D174-H208 PolarHBondContact OD2-ND1 2.75Å; L176-H208 HydrophobicContact CB-CB 4.17Å; L176-H208 HydrophobicContact CD1-CB 4.02Å; L176-H208 HydrophobicContact CG-CB 4.2Å
209	S	97.9	Very high	98.4	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	32%	0.318	S	S	.	.	S	Bend	trans	-153.1	177	-177	-175.1	0	0	0	0	109.8	P207	P207-S209 PolarHBondContact O-N 2.84Å
210	A	96.8	Very high	98.4	Very high	32 Å²	32	62.8 Å²	62.8	26%	0.264	33%	0.326	S	S	.	.			trans	-100.1	163.3	163.7	0	0	0	0	0	111.9	W37 E214	W37-A210 HydrophobicContact CH2-CB 3.87Å; W37-A210 HydrophobicContact CZ3-CB 4.4Å; A210-E214 WeakPolarHBondContact CA-OE2 3.45Å; A210-E214 VanDerWaalsContact CB-OE2 3.3Å; A210-E214 WeakPolarHBondContact CB-OE2 3.32Å
211	C	98.1	Very high	98.4	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.149	32%	0.319	C	S	.	.			trans	-137.1	163.6	173.5	74.5	0	0	0	0	113.1	L206 E213 E214 M215	L206-C211 HydrophobicContact CD1-CB 3.81Å; L206-C211 HydrophobicContact CD2-CB 4.4Å; C211-E213 VanDerWaalsContact C-N 3.3Å; C211-E213 PolarHBondContact O-N 2.83Å; C211-E214 WeakPolarHBondContact O-CB 3.24Å; C211-E214 PolarHBondContact O-N 3.27Å; C211-E214 PolarHBondContact SG-N 2.92Å; C211-E214 VanDerWaalsContact SG-N 3.45Å; C211-M215 WeakPolarHBondContact O-CG 3.29Å; C211-M215 PolarHBondContact O-N 2.9Å
212	P	97.9	Very high	98.4	Very high	104 Å²	104	57.7 Å²	57.7	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-58.6	-37.3	-179.3	-27	36.1	0	0	0	114.4	M215 I216	P212-M215 PolarHBondContact O-N 3.17Å; P212-I216 WeakPolarHBondContact O-CG1 3.43Å; P212-I216 PolarHBondContact O-N 3.42Å
213	E	98.5	Very high	98.4	Very high	132 Å²	132	58.5 Å²	58.5	62%	0.617	30%	0.299	S	S	*	.	H	α-helix	trans	-64.9	-41.8	178.6	-66.4	157	174.7	0	0	111.2	Y203 C211 I216 D217	Y203-E213 HydrophobicContact CD1-CB 4.26Å; Y203-E213 HydrophobicContact CE1-CB 4.13Å; C211-E213 VanDerWaalsContact C-N 3.3Å; C211-E213 PolarHBondContact O-N 2.83Å; E213-I216 PolarHBondContact O-N 3.16Å; E213-D217 PolarHBondContact O-N 2.94Å; E213-D217 VanDerWaalsContact O-N 3.15Å
214	E	98.7	Very high	98.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-44.4	173.3	-174.9	-175.7	-133.6	0	0	111.3	L142 C169 Y203 A210 C211 I216 D217 I218	L142-E214 HydrophobicContact CD2-CG 4.47Å; C169-E214 HydrophobicContact CB-CG 3.92Å; C169-E214 WeakPolarHBondContact CB-OE1 3.28Å; Y203-E214 HydrophobicContact CD1-CB 4.24Å; Y203-E214 HydrophobicContact CD2-CB 4.26Å; Y203-E214 HydrophobicContact CD2-CG 4.34Å; Y203-E214 HydrophobicContact CE1-CB 3.81Å; Y203-E214 HydrophobicContact CE2-CB 3.87Å; Y203-E214 HydrophobicContact CE2-CG 3.75Å; Y203-E214 HydrophobicContact CG-CB 4.46Å; Y203-E214 VanDerWaalsContact CZ-CA 3.49Å; A210-E214 WeakPolarHBondContact CA-OE2 3.45Å; A210-E214 VanDerWaalsContact CB-OE2 3.3Å; A210-E214 WeakPolarHBondContact CB-OE2 3.32Å; C211-E214 WeakPolarHBondContact O-CB 3.24Å; C211-E214 PolarHBondContact O-N 3.27Å; C211-E214 PolarHBondContact SG-N 2.92Å; C211-E214 VanDerWaalsContact SG-N 3.45Å; E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 3.24Å; E214-D217 WeakPolarHBondContact O-CB 3.3Å; E214-D217 PolarHBondContact O-N 2.61Å; E214-D217 VanDerWaalsContact O-N 3.12Å; E214-I218 HydrophobicContact CG-CD1 4.04Å; E214-I218 VanDerWaalsContact O-CG1 3.27Å; E214-I218 WeakPolarHBondContact O-CG1 3.42Å; E214-I218 PolarHBondContact O-N 2.73Å
215	M	98.7	Very high	98.4	Very high	20 Å²	20	55.5 Å²	55.5	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-35.2	177.4	-65.4	-55.5	-61.8	0	0	113	W37 A40 I44 C211 P212 I218 K219	W37-M215 HydrophobicContact CZ3-SD 4.35Å; A40-M215 HydrophobicContact CB-CE 3.95Å; I44-M215 HydrophobicContact CD1-CE 3.63Å; I44-M215 HydrophobicContact CG1-CE 3.99Å; I44-M215 HydrophobicContact CG2-CB 4.26Å; C211-M215 WeakPolarHBondContact O-CG 3.29Å; C211-M215 PolarHBondContact O-N 2.9Å; P212-M215 PolarHBondContact O-N 3.17Å; M215-I218 PolarHBondContact O-N 3.13Å; M215-I218 HydrophobicContact SD-CD1 3.78Å; M215-K219 WeakPolarHBondContact O-CB 3.49Å; M215-K219 PolarHBondContact O-N 3.41Å
216	I	98.6	Very high	98.4	Very high	83 Å²	83	53.2 Å²	53.2	43%	0.426	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-41.3	173.8	-70	165.3	0	0	0	110.9	P212 E213 E214 K219 R220	P212-I216 WeakPolarHBondContact O-CG1 3.43Å; P212-I216 PolarHBondContact O-N 3.42Å; E213-I216 PolarHBondContact O-N 3.16Å; E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 3.24Å; I216-K219 WeakPolarHBondContact O-CB 3.44Å; I216-K219 PolarHBondContact O-N 2.96Å; I216-R220 WeakPolarHBondContact O-CG 3.37Å; I216-R220 PolarHBondContact O-N 3.29Å
217	D	98.8	Very high	98.4	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-40	177.4	-78	-32.5	0	0	0	112.3	K201 Y203 E213 E214 R220 F221	K201-D217 HydrophobicContact CD-CB 4.25Å; K201-D217 WeakPolarHBondContact CD-OD2 3.21Å; K201-D217 IonicContact NZ-OD1 3.59Å; K201-D217 PolarHBondContact NZ-OD1 2.89Å; K201-D217 IonicContact NZ-OD2 3.57Å; K201-D217 PolarHBondContact NZ-OD2 3.43Å; Y203-D217 WeakPolarHBondContact OH-CB 3.47Å; Y203-D217 PolarHBondContact OH-OD2 2.95Å; E213-D217 PolarHBondContact O-N 2.94Å; E213-D217 VanDerWaalsContact O-N 3.15Å; E214-D217 WeakPolarHBondContact O-CB 3.3Å; E214-D217 PolarHBondContact O-N 2.61Å; E214-D217 VanDerWaalsContact O-N 3.12Å; D217-R220 PolarHBondContact O-N 3.36Å; D217-R220 IonicContact OD1-NH1 3.97Å; D217-F221 WeakPolarHBondContact O-CB 3.35Å; D217-F221 PolarHBondContact O-N 3.27Å
218	I	98.8	Very high	98.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-49.1	171.4	-67.4	166.3	0	0	0	109.9	F41 I44 V140 L142 L167 E214 M215 R220 F221 I222	F41-I218 HydrophobicContact CE1-CG2 4.13Å; I44-I218 HydrophobicContact CD1-CB 4.48Å; I44-I218 HydrophobicContact CD1-CG2 4.06Å; V140-I218 HydrophobicContact CG1-CD1 4.21Å; V140-I218 HydrophobicContact CG1-CG1 3.84Å; V140-I218 HydrophobicContact CG1-CG2 4.2Å; L142-I218 HydrophobicContact CD1-CD1 3.65Å; L142-I218 HydrophobicContact CD2-CD1 3.73Å; L142-I218 HydrophobicContact CD2-CG1 4.18Å; L142-I218 HydrophobicContact CG-CD1 4.32Å; L167-I218 HydrophobicContact CD2-CG1 4.19Å; E214-I218 HydrophobicContact CG-CD1 4.04Å; E214-I218 VanDerWaalsContact O-CG1 3.27Å; E214-I218 WeakPolarHBondContact O-CG1 3.42Å; E214-I218 PolarHBondContact O-N 2.73Å; M215-I218 PolarHBondContact O-N 3.13Å; M215-I218 HydrophobicContact SD-CD1 3.78Å; I218-R220 PolarHBondContact O-N 3.28Å; I218-F221 WeakPolarHBondContact O-CB 3.32Å; I218-F221 PolarHBondContact O-N 2.88Å; I218-I222 HydrophobicContact CG2-CD1 3.6Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.22Å; I218-I222 PolarHBondContact O-N 3.49Å
219	K	98.8	Very high	98	Very high	73 Å²	73	58.6 Å²	58.6	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-54.9	-52	177.9	-175.4	-178.9	177.1	174.5	0	111.7	I44 M215 I216 F221 I222 E223	I44-K219 HydrophobicContact CB-CB 4.04Å; I44-K219 HydrophobicContact CB-CD 4.04Å; I44-K219 HydrophobicContact CB-CG 4.19Å; I44-K219 HydrophobicContact CD1-CB 4.02Å; I44-K219 HydrophobicContact CG2-CB 4.39Å; I44-K219 HydrophobicContact CG2-CD 4.41Å; M215-K219 WeakPolarHBondContact O-CB 3.49Å; M215-K219 PolarHBondContact O-N 3.41Å; I216-K219 WeakPolarHBondContact O-CB 3.44Å; I216-K219 PolarHBondContact O-N 2.96Å; K219-F221 VanDerWaalsContact C-N 3.27Å; K219-F221 PolarHBondContact O-N 3.03Å; K219-I222 PolarHBondContact O-N 3.48Å; K219-I222 VanDerWaalsContact O-N 3.15Å; K219-E223 WeakPolarHBondContact CE-OE1 3.37Å; K219-E223 HydrophobicContact CG-CG 4.43Å; K219-E223 WeakPolarHBondContact O-CG 3.4Å; K219-E223 PolarHBondContact O-N 3.12Å
220	R	98.8	Very high	97.1	Very high	152 Å²	152	60.9 Å²	60.9	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-59.8	-38.9	179.7	-73.1	171	176.2	165.1	-1.9	112.1	I216 D217 I218 K224	I216-R220 WeakPolarHBondContact O-CG 3.37Å; I216-R220 PolarHBondContact O-N 3.29Å; D217-R220 PolarHBondContact O-N 3.36Å; D217-R220 IonicContact OD1-NH1 3.97Å; I218-R220 PolarHBondContact O-N 3.28Å; R220-K224 WeakPolarHBondContact O-CB 3.31Å; R220-K224 PolarHBondContact O-N 2.96Å
221	F	98.9	Very high	95.5	Very high	21 Å²	21	66.9 Å²	66.9	9%	0.092	35%	0.353	C	S	.	.	H	α-helix	trans	-64.4	-47.7	175.6	179.1	-96.3	0	0	0	111.4	L114 V140 H165 L167 D217 I218 K219 E223 K224 Q225	L114-F221 HydrophobicContact CD1-CE1 4.39Å; L114-F221 HydrophobicContact CD2-CE1 3.94Å; V140-F221 HydrophobicContact CG2-CD1 3.53Å; V140-F221 HydrophobicContact CG2-CE1 3.7Å; H165-F221 HydrophobicContact CB-CE2 3.83Å; H165-F221 HydrophobicContact CB-CZ 3.82Å; L167-F221 HydrophobicContact CB-CB 4.35Å; L167-F221 HydrophobicContact CB-CD1 4.05Å; L167-F221 HydrophobicContact CB-CD2 3.66Å; L167-F221 HydrophobicContact CB-CE1 4.22Å; L167-F221 HydrophobicContact CB-CE2 3.84Å; L167-F221 HydrophobicContact CB-CG 3.75Å; L167-F221 HydrophobicContact CB-CZ 4.12Å; L167-F221 HydrophobicContact CD2-CB 3.74Å; L167-F221 HydrophobicContact CD2-CG 4.07Å; D217-F221 WeakPolarHBondContact O-CB 3.35Å; D217-F221 PolarHBondContact O-N 3.27Å; I218-F221 WeakPolarHBondContact O-CB 3.32Å; I218-F221 PolarHBondContact O-N 2.88Å; K219-F221 VanDerWaalsContact C-N 3.27Å; K219-F221 PolarHBondContact O-N 3.03Å; F221-E223 PolarHBondContact O-N 3.04Å; F221-K224 PolarHBondContact O-N 3.26Å; F221-Q225 HydrophobicContact CD1-CG 4.32Å; F221-Q225 HydrophobicContact CD2-CG 4.21Å; F221-Q225 HydrophobicContact CE1-CG 4Å; F221-Q225 HydrophobicContact CE2-CG 3.89Å; F221-Q225 HydrophobicContact CG-CG 4.43Å; F221-Q225 HydrophobicContact CZ-CG 3.77Å; F221-Q225 WeakPolarHBondContact O-CG 3.24Å; F221-Q225 PolarHBondContact O-N 3.15Å
222	I	98.8	Very high	92.9	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-44.8	177.9	-61.3	167.8	0	0	0	110.4	V24 F41 I46 V49 Y51 L114 I218 K219 K224 Q225 L226	V24-I222 HydrophobicContact CG2-CD1 4.13Å; V24-I222 HydrophobicContact CG2-CG1 4.43Å; V24-I222 HydrophobicContact CG2-CG2 4.05Å; F41-I222 HydrophobicContact CE1-CD1 4.16Å; I46-I222 HydrophobicContact CD1-CB 3.75Å; I46-I222 HydrophobicContact CD1-CG2 3.35Å; V49-I222 HydrophobicContact CG1-CG2 4.48Å; V49-I222 HydrophobicContact CG2-CG2 4.46Å; Y51-I222 HydrophobicContact CE1-CD1 4.09Å; L114-I222 HydrophobicContact CD1-CB 4.13Å; L114-I222 HydrophobicContact CD1-CG1 3.81Å; L114-I222 HydrophobicContact CD1-CG2 4.02Å; I218-I222 HydrophobicContact CG2-CD1 3.6Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.22Å; I218-I222 PolarHBondContact O-N 3.49Å; K219-I222 PolarHBondContact O-N 3.48Å; K219-I222 VanDerWaalsContact O-N 3.15Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 3.18Å; I222-Q225 PolarHBondContact O-N 2.79Å; I222-L226 HydrophobicContact CG2-CD1 4Å; I222-L226 WeakPolarHBondContact O-CA 3.38Å; I222-L226 WeakPolarHBondContact O-CB 3.5Å; I222-L226 PolarHBondContact O-N 2.94Å
223	E	98.5	Very high	92.6	Very high	88 Å²	88	77.1 Å²	77.1	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-58.7	-40.9	176.5	-73	174.5	156	0	0	112.3	I46 K219 F221 P227	I46-E223 HydrophobicContact CD1-CB 4.35Å; I46-E223 HydrophobicContact CD1-CG 3.48Å; I46-E223 VanDerWaalsContact CD1-CG 3.48Å; I46-E223 HydrophobicContact CG1-CG 3.89Å; K219-E223 WeakPolarHBondContact CE-OE1 3.37Å; K219-E223 HydrophobicContact CG-CG 4.43Å; K219-E223 WeakPolarHBondContact O-CG 3.4Å; K219-E223 PolarHBondContact O-N 3.12Å; F221-E223 PolarHBondContact O-N 3.04Å; E223-P227 WeakPolarHBondContact O-CA 3.34Å
224	K	98.5	Very high	92.3	Very high	154 Å²	154	74.2 Å²	74.2	67%	0.67	38%	0.379	S	S	*	.	H	α-helix	trans	-69.4	-42.9	179.2	-176.8	177.8	177.7	-179.3	0	112.5	R220 F221 I222	R220-K224 WeakPolarHBondContact O-CB 3.31Å; R220-K224 PolarHBondContact O-N 2.96Å; F221-K224 PolarHBondContact O-N 3.26Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 3.18Å
225	Q	98.5	Very high	91.9	Very high	34 Å²	34	78.3 Å²	78.3	16%	0.159	40%	0.4	C	S	.	.	H	α-helix	trans	-85.5	-24.4	-175.3	-57.5	-48.8	-33.6	0	0	113.2	L114 H165 F221 I222 P227	L114-Q225 HydrophobicContact CD1-CB 4.42Å; L114-Q225 HydrophobicContact CD2-CB 4.34Å; H165-Q225 HydrophobicContact CB-CG 4.11Å; H165-Q225 PolarHBondContact CD2-OE1 3.21Å; F221-Q225 HydrophobicContact CD1-CG 4.32Å; F221-Q225 HydrophobicContact CD2-CG 4.21Å; F221-Q225 HydrophobicContact CE1-CG 4Å; F221-Q225 HydrophobicContact CE2-CG 3.89Å; F221-Q225 HydrophobicContact CG-CG 4.43Å; F221-Q225 HydrophobicContact CZ-CG 3.77Å; F221-Q225 WeakPolarHBondContact O-CG 3.24Å; F221-Q225 PolarHBondContact O-N 3.15Å; I222-Q225 PolarHBondContact O-N 2.79Å; Q225-P227 WeakPolarHBondContact O-CD 3.23Å
226	L	98.3	Very high	91.5	Very high	0 Å²	0	81.7 Å²	81.7	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-123	62.2	178.2	-58.6	175	0	0	0	110.1	A22 V24 H48 V49 R112 L114 A137 I222	A22-L226 HydrophobicContact CB-CB 4.02Å; A22-L226 HydrophobicContact CB-CD1 3.86Å; A22-L226 HydrophobicContact CB-CD2 3.93Å; A22-L226 HydrophobicContact CB-CG 4.15Å; V24-L226 HydrophobicContact CG2-CD1 4.31Å; H48-L226 PolarHBondContact NE2-O 3.28Å; V49-L226 HydrophobicContact CG1-CD1 4.41Å; V49-L226 HydrophobicContact CG2-CB 4.47Å; V49-L226 HydrophobicContact CG2-CD1 4.49Å; R112-L226 HydrophobicContact CB-CD2 4.38Å; R112-L226 WeakPolarHBondContact O-CD2 3.3Å; L114-L226 HydrophobicContact CB-CD1 4.31Å; L114-L226 HydrophobicContact CD1-CD1 3.5Å; L114-L226 VanDerWaalsContact CD1-CD1 3.5Å; L114-L226 HydrophobicContact CD1-CG 3.84Å; L114-L226 HydrophobicContact CG-CD1 3.74Å; L114-L226 HydrophobicContact CG-CD2 4.47Å; L114-L226 HydrophobicContact CG-CG 4.04Å; A137-L226 HydrophobicContact CB-CD2 3.68Å; I222-L226 HydrophobicContact CG2-CD1 4Å; I222-L226 WeakPolarHBondContact O-CA 3.38Å; I222-L226 WeakPolarHBondContact O-CB 3.5Å; I222-L226 PolarHBondContact O-N 2.94Å
227	P	97.8	Very high	91.1	Very high	68 Å²	68	81.6 Å²	81.6	44%	0.442	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.9	158.1	179.6	27.6	-35.7	0	0	0	110.9	H48 R112 E223 Q225 L229	H48-P227 PolarHBondContact NE2-O 3.07Å; R112-P227 VanDerWaalsContact CZ-O 3.29Å; R112-P227 PolarHBondContact NH1-O 3.15Å; R112-P227 PolarHBondContact NH2-O 3.46Å; E223-P227 WeakPolarHBondContact O-CA 3.34Å; Q225-P227 WeakPolarHBondContact O-CD 3.23Å; P227-L229 PolarHBondContact O-N 2.89Å
228	A	95.6	Very high	90.6	Very high	69 Å²	69	85.6 Å²	85.6	57%	0.57	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-58.1	136.9	169	0	0	0	0	0	108.8	H48	H48-A228 PolarHBondContact CE1-N 3.11Å; H48-A228 PolarHBondContact NE2-N 3.42Å
229	L	92.1	Very high	90	Very high	99 Å²	99	91.7 Å²	91.7	52%	0.518	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-73.4	135	167.2	-58.2	-179.9	0	0	0	106.4	T21 P227 D231	T21-L229 HydrophobicContact CG2-CD1 4.16Å; P227-L229 PolarHBondContact O-N 2.89Å; L229-D231 PolarHBondContact O-N 3.39Å
230	S	80.5	Confident	89.3	Confident	105 Å²	105	93.2 Å²	93.2	73%	0.734	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-58.3	132.5	167.9	45.1	0	0	0	0	108	E232	S230-E232 PolarHBondContact O-N 3.29Å
231	D	62.8	Low	88.5	Confident	158 Å²	158	88.3 Å²	88.3	85%	0.845	47%	0.473	S	S	*	.			trans	-60	111.9	166.9	-62.4	-42	0	0	0	106.3	L229	L229-D231 PolarHBondContact O-N 3.39Å
232	E	42.2	Very low	87.6	Confident	263 Å²	263	94.4 Å²	94.4	100%	1.229	51%	0.507	S	S	*	.			trans	-68.8	0	164.8	-76.3	-173.5	163.5	0	0	110.3	S230	S230-E232 PolarHBondContact O-N 3.29Å

Retrieved 232 of 232 residues in 81.7 ms (Link to these results)

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